SCHEMBL294971

SCHEMBL294971

CNC1(c2ccccc2)CCC1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.63
OPRL1 P41146 8/20 0.63
OPRK1 P41145 2/20 0.63
SLC6A4 P31645 1/20 0.46
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
OGFRL1 Q5TC84 1/20 0.41

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
SCHEMBL294583 0.95 OPRM1 (0.63) OPRM1OPRL1OPRK1SLC6A4GRIN2D
SCHEMBL294762 0.93 OPRM1 (0.61) OPRM1OPRL1OPRK1SLC6A4GRIN2D
Hydrochloric Acid SCHEMBL28148666 0.91 OPRM1 (0.59) OPRM1OPRL1OPRK1SLC6A4GRIN2D
SCHEMBL1822928 0.91 OPRM1 (0.74) OPRM1OPRL1OPRK1SLC6A4OGFRL1
Hydrochloric Acid SCHEMBL28226628 0.88 OPRM1 (0.71) OPRM1OPRL1OPRK1SLC6A4OGFRL1
SCHEMBL5671696 0.81 OPRM1 (0.58) OPRM1OPRL1OPRK1SLC6A4OGFRL1
SCHEMBL5036687 0.81 OPRM1 (0.58) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL7552235 0.81 OPRM1 (0.58) OPRM1OPRL1OPRK1SLC6A4OGFRL1
SCHEMBL3707243 0.81 OPRM1 (0.49) OPRM1OPRL1OPRK1
SCHEMBL8353549 0.80 OPRM1 (0.43) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US 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
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 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
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP 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
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO 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
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
WO-2009080223-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 OPRM1 2964/4885OPRL1 3579/4885OPRK1 3073/4885
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG OPRM1 3192/4885OPRL1 1614/4885OPRK1 2002/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 OPRM1 60/4885OPRL1 14/4885OPRK1 31/4885
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.