SCHEMBL18217050

SCHEMBL18217050

CC(C)C1(C(C)(C)C)CCc2nn(-c3ccccc3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.39
SLC6A9 P48067 3/20 0.33
HDAC9 Q9UKV0 1/20 0.33
PDK2 Q15119 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTSR1 P30989 1/20 0.31
AADAT Q8N5Z0 3/20 0.30
ESR2 Q92731 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
SCHEMBL19132834 0.89 RORC (0.36) OGAPDK2
SCHEMBL18217033 0.79 RORC (0.30)
SCHEMBL18217010 0.79 RORC (0.34) AADAT
SCHEMBL18217053 0.71 HTT (0.39) HDAC9
SCHEMBL19132692 0.70 RORC (0.36) OGAHDAC9
SCHEMBL19132871 0.69 RORC (0.40)
SCHEMBL18217052 0.69 HDAC9 (0.34) HDAC9
SCHEMBL7926379 0.67 HTT (0.44) OGAAADATESR2
SCHEMBL12488593 0.64 OGA (0.49) OGASLC6A9PDK2OPRM1KCNH2
SCHEMBL1171436 0.64 HTR2C (0.57) OGAAADATESR2

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 OGA 4511/4885SLC6A9 4792/4885HDAC9 474/4885

“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.