SCHEMBL118612

SCHEMBL118612

N#CC1(c2ccc(CBr)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
IL4I1 Q96RQ9 1/20 0.43
OPRL1 P41146 2/20 0.40

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
SCHEMBL6180992 0.91 ALDH1A1 (0.42) OPRM1IL4I1OPRL1
SCHEMBL16897451 0.88 OPRM1 (0.39) OPRM1IL4I1OPRL1
SCHEMBL27668282 0.85 OPRM1 (0.43) OPRM1IL4I1OPRL1
SCHEMBL12967224 0.80 CYP2A6 (0.47) OPRM1IL4I1OPRL1
SCHEMBL27728990 0.80 LOXL2 (0.47) OPRM1IL4I1OPRL1
SCHEMBL18983747 0.80 OPRM1 (0.44) OPRM1IL4I1OPRL1
SCHEMBL14121560 0.78 OPRM1 (0.46) OPRM1IL4I1OPRL1
SCHEMBL3944529 0.77 OPRM1 (0.43) OPRM1IL4I1
SCHEMBL2300 0.77 OPRM1 (0.46) OPRM1
SCHEMBL27340577 0.77 OPRM1 (0.40) OPRM1IL4I1OPRL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427810-A Sulfamoylbenzoic acid derivatives as TRPM8 antagonists RAQUALIA PHARMA INC 2012-04-25 CN disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 EP 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 (3 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP OPRM1 1881/4885IL4I1 2504/4885OPRL1 1020/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 OPRM1 1709/4885IL4I1 1172/4885OPRL1 725/4885
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 OPRM1 342/4885IL4I1 3274/4885OPRL1 261/4885

“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.