In this work, beam search sampling from CLMs was applied to generating new molecules with desired bioactivity on the ligand-activated transcription factor RORγ. The algorithm successfully generated and scored new molecules. Prospective experimental validation yielded three novel, potent inverse agonists of the nuclear receptor. The selected compounds have various degrees of similarity to known RORγ modulators (ranging from 0.28 to 0.71, as captured by Jaccard-Tanimoto similarity on Morgan fingerprints).