SCHEMBL2873286

SCHEMBL2873286

CCc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.70
CNR2 P34972 3/20 0.70
KCNH2 Q12809 1/20 0.63

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 SCHEMBL6543063 0.99 CNR1 (0.69) CNR1CNR2KCNH2
SCHEMBL2873006 0.93 CNR2 (0.61) CNR1CNR2
Hydrochloric Acid SCHEMBL9160043 0.92 CNR2 (0.60) CNR1CNR2
SCHEMBL3999243 0.91 CNR1 (0.70) CNR1CNR2KCNH2
SCHEMBL5332399 0.90 CNR1 (0.69) CNR1CNR2KCNH2
SCHEMBL4451548 0.90 CNR2 (0.57) CNR1CNR2KCNH2
SCHEMBL2874753 0.90 CNR1 (0.66) CNR1CNR2KCNH2
SCHEMBL4464625 0.89 CNR1 (0.75) CNR1CNR2KCNH2
SCHEMBL4466452 0.88 CNR2 (0.71) CNR1CNR2KCNH2
SCHEMBL4892080 0.86 CNR1 (0.69) CNR1CNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007009701-A2 USE OF SUBSTITUTED PYRAZOLE COMPOUNDS AND COMBINATIONS THEREOF FOR THE TREATMENT OF THE METABOLIC SYNDROME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
EP-1743637-A1 Use of substituted pyrazole compounds and combinations thereof for the treatment of the metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 US claimed
EP-1150961-B1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-22 EP claimed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US claimed
US-6432984-B1 CANNABINOID RECEPTOR ANTAGONISTS; TREATMENT OF OBESITY, DRUG ADDICTION, ALCHOLISM, PSYCHOLOGICAL, AND EATING DISORDERS SANOFI-SYNTHELABO (FR) 2002-08-13 US claimed
CN-102212058-B Single composite medicament (chiral nitrogenous heterocyclic ester) and synthesis method thereof as well as application of chiral nitrogenous heterocyclic ester in preparing low-toxicity CB1 receptor inhibitor FAN RULIN 2014-04-02 CN disclosed
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 US disclosed
US-7632852-B2 (1,5-diphenyl-1H-pyrazol-3-yl)oxadiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-12-15 US disclosed
US-20090258902-A1 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2009-10-15 US disclosed
US-7514068-B2 Biphenyl-pyrazolecarboxamide compounds CONCERT PHARMACEUTICALS INC. (US) 2009-04-07 US disclosed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US disclosed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US disclosed
US-6432984-B1 CANNABINOID RECEPTOR ANTAGONISTS; TREATMENT OF OBESITY, DRUG ADDICTION, ALCHOLISM, PSYCHOLOGICAL, AND EATING DISORDERS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6432984-B1 CANNABINOID RECEPTOR ANTAGONISTS; TREATMENT OF OBESITY, DRUG ADDICTION, ALCHOLISM, PSYCHOLOGICAL, AND EATING DISORDERS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
CN-1346349-A Pyrazoelcarboxylic acid derivatives, their preparation, pharmaceutical compositions containing SANOFI SYNTHELABO (FR) 2002-04-24 CN disclosed
EP-1150961-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-11-07 EP disclosed
WO-2000046209-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-08-10 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-20090258902-A1 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885KCNH2 1787/4885
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885KCNH2 3711/4885
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885KCNH2 1361/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885KCNH2 3711/4885

“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.