SCHEMBL1117092

SCHEMBL1117092

CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)NC1CC2CCC(C1)N2Cc1ccc(C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 2/20 0.47
OPRK1 P41145 6/20 0.45
OPRM1 P35372 4/20 0.45
KCNH2 Q12809 4/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
OPRD1 P41143 2/20 0.43
LTA4H P09960 1/20 0.43
DRD2 P14416 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1117088 1.00 CXCR6 (0.47) CXCR6OPRK1OPRM1KCNH2KMT2A
SCHEMBL1116626 0.91 OPRK1 (0.51) CXCR6OPRK1OPRM1KCNH2KMT2A
SCHEMBL1116628 0.91 OPRK1 (0.51) CXCR6OPRK1OPRM1KCNH2KMT2A
SCHEMBL1117175 0.88 OPRK1 (0.40) CXCR6OPRK1OPRM1KCNH2DRD2
SCHEMBL1117172 0.88 OPRK1 (0.40) CXCR6OPRK1OPRM1KCNH2DRD2
SCHEMBL1117104 0.87 KMT2A (0.41) KMT2AMEN1
SCHEMBL1117107 0.87 KMT2A (0.41) KMT2AMEN1
SCHEMBL2098910 0.82 CXCR6 (0.46) CXCR6OPRK1KMT2AMEN1DRD2
SCHEMBL2098908 0.82 CXCR6 (0.46) CXCR6OPRK1KMT2AMEN1DRD2
SCHEMBL2612637 0.82 CXCR6 (0.46) CXCR6OPRK1KMT2AMEN1DRD2

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 14 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 claimed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
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-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 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
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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 CXCR6 3304/4885OPRK1 959/4885OPRM1 1049/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 CXCR6 3978/4885OPRK1 1623/4885OPRM1 1854/4885

“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.