SCHEMBL10287657

SCHEMBL10287657

Cc1ccc(OC(C)(C)C(=O)NC2CC3CCC(C2)N3Cc2cccc(C(N)=O)c2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.53
OPRM1 P35372 11/20 0.53
KCNH2 Q12809 10/20 0.53
OPRD1 P41143 6/20 0.53
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL1116628 0.86 OPRK1 (0.51) OPRK1OPRM1KCNH2OPRD1MEN1
SCHEMBL1116626 0.86 OPRK1 (0.51) OPRK1OPRM1KCNH2OPRD1MEN1
SCHEMBL2620566 0.85 USP2 (0.39) OPRK1OPRM1KCNH2OPRD1
SCHEMBL10287658 0.78 KMT2A (0.44) OPRK1MEN1KMT2A
SCHEMBL1117092 0.77 CXCR6 (0.47) OPRK1OPRM1KCNH2OPRD1MEN1
SCHEMBL1117088 0.77 CXCR6 (0.47) OPRK1OPRM1KCNH2OPRD1MEN1
SCHEMBL2098908 0.72 CXCR6 (0.46) OPRK1MEN1KMT2A
SCHEMBL2612637 0.72 CXCR6 (0.46) OPRK1MEN1KMT2A
SCHEMBL2098910 0.72 CXCR6 (0.46) OPRK1MEN1KMT2A
SCHEMBL1117119 0.71 KMT2A (0.39) OPRK1OPRM1KCNH2OPRD1MEN1

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-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 OPRK1 959/4885OPRM1 1049/4885KCNH2 4264/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 OPRK1 1623/4885OPRM1 1854/4885KCNH2 4503/4885

“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.