SCHEMBL18217010

SCHEMBL18217010

CC(C)n1cc2c(n1)CCC(C(C)C)(C(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
AADAT Q8N5Z0 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
SCHEMBL18217033 0.85 RORC (0.30) RORC
SCHEMBL18217031 0.82 RORC (0.33) RORC
SCHEMBL18217052 0.75 HDAC9 (0.34)
SCHEMBL19256651 0.69 HDAC8 (0.40) AADAT
SCHEMBL12250991 0.69 HDAC8 (0.43) AADAT
SCHEMBL19132759 0.68 PLK1 (0.30) RORC
SCHEMBL19132760 0.65 RORC (0.33) RORC
SCHEMBL16210393 0.65 HTR2C (0.42) AADAT
SCHEMBL24817957 0.64 OGA (0.36) AADAT
SCHEMBL21672755 0.64 AADAT (0.33) AADAT

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 3 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-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 2/4885AADAT 2868/4885

“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.