SCHEMBL18217031

SCHEMBL18217031

CCn1cc2c(n1)CCC(C(C)C)(C(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
HDAC9 Q9UKV0 1/20 0.31
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18217053 0.84 HTT (0.39) HDAC9KMT2A
SCHEMBL18217052 0.82 HDAC9 (0.34) HDAC9KMT2A
SCHEMBL18217010 0.82 RORC (0.34) RORC
SCHEMBL18217033 0.82 RORC (0.30) RORC
SCHEMBL18217050 0.75 OGA (0.39) HDAC9
SCHEMBL16888281 0.75 RORC (0.35) RORCHDAC9KMT2A
SCHEMBL19132834 0.74 RORC (0.36) RORC
SCHEMBL19132763 0.73 RORC (0.36) RORCHDAC9KMT2A
SCHEMBL19132760 0.70 RORC (0.33) RORCHDAC9
SCHEMBL19132871 0.69 RORC (0.40) RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20160326104-A1 CYCLOHEXYL SULFONE ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326104-A1 CYCLOHEXYL SULFONE ROR GAMMA MODULATORS RORB, RORC, RORA RORC 2/4885HDAC9 474/4885KMT2A 2780/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.