SCHEMBL294762

SCHEMBL294762

CNC1(c2ccccc2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.61
OPRL1 P41146 7/20 0.61
OPRK1 P41145 1/20 0.61
SLC6A4 P31645 1/20 0.53
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIA1 P42261 2/20 0.49
GRIA2 P42262 2/20 0.49
GRIA3 P42263 2/20 0.49
GRIA4 P48058 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49

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
Hydrochloric Acid SCHEMBL28148666 0.98 OPRM1 (0.59) OPRM1OPRL1OPRK1SLC6A4GRIN2D
SCHEMBL294583 0.98 OPRM1 (0.63) OPRM1OPRL1OPRK1SLC6A4GRIN2D
SCHEMBL294971 0.93 OPRM1 (0.63) OPRM1OPRL1OPRK1SLC6A4GRIN2D
SCHEMBL1822928 0.89 OPRM1 (0.74) OPRM1OPRL1OPRK1SLC6A4
Hydrochloric Acid SCHEMBL28226628 0.86 OPRM1 (0.71) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL7552235 0.79 OPRM1 (0.58) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL5327730 0.79 GRIN2D (0.46) SLC6A4GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL5671696 0.79 OPRM1 (0.58) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL3663027 0.79 SLC6A3 (0.56) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL5036687 0.79 OPRM1 (0.58) OPRM1OPRL1OPRK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN disclosed
CN-105473575-A Benzimidazolyl-methylurea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2016-04-06 CN disclosed
US-8344004-B2 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2013-01-01 US disclosed
EP-2240474-B1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-03-14 EP disclosed
US-20110224263-A1 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2011-09-15 US disclosed
CN-101910162-A Cyclic pyridyl-N- [1,3,4] -thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS 2010-12-08 CN disclosed
EP-1937659-B1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
EP-2240474-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
CN-101282952-A Cyclic N- [1,3,4] -thiadiazol-2-yl-benzene sulfonamides, process for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-10-08 CN disclosed
EP-1937659-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039173-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007020502-A2 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 WO disclosed
EP-1296934-A1 CYCLOHEXYLAMINE DERIVATIVES AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP disclosed
WO-2001092204-A1 CYCLOHEXYLAMINE DERIVATIVES AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
WO-1997041846-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP disclosed
CN-87104030-A OPTICALLY ACTIVE ADSORBENTS 1987-12-16 CN 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-20110224263-A1 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals PPARD, PPARG, PPARA OPRM1 3188/4885OPRL1 2675/4885OPRK1 2292/4885

“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.