SCHEMBL2118655

SCHEMBL2118655

Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 1.00
CNR2 P34972 4/20 0.89
CYP2C9 P11712 2/20 0.89
GPR55 Q9Y2T6 2/20 0.89
ABCC4 O15439 1/20 0.89
MLNR O43193 1/20 0.89
ABCB11 O95342 1/20 0.89
CHRM2 P08172 1/20 0.89
ADORA3 P0DMS8 1/20 0.89
ADRA2B P18089 1/20 0.89
ADRA2C P18825 1/20 0.89
DRD1 P21728 1/20 0.89
TBXA2R P21731 1/20 0.89
SLC6A2 P23975 1/20 0.89
HRH2 P25021 1/20 0.89
HTR2A P28223 1/20 0.89
AGTR1 P30556 1/20 0.89
CCKAR P32238 1/20 0.89
CCKBR P32239 1/20 0.89
MC4R P32245 1/20 0.89

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
Rimonabant SCHEMBL29373177 0.94 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
Rimonabant SCHEMBL38637 0.94 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL13349332 0.93 CNR1 (0.88) CNR1CNR2CYP2C9GPR55ABCC4
Rimonabant SCHEMBL29835931 0.93 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
Rimonabant SCHEMBL1186698 0.93 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053639 0.93 CNR1 (0.98) CNR1CNR2CYP2C9GPR55ABCC4
Rimonabant SCHEMBL746112 0.92 CNR1 (0.96) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14397516 0.92 CNR1 (0.92) CNR1CNR2CYP2C9GPR55ABCC4
Rimonabant SCHEMBL8742390 0.91 CNR1 (0.94) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL29386088 0.91 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084730-B2 Pharmaceutical composition comprising a solid dispersion with a polymer matrix containing a continuous polydextrose phase and a continuous phase of a polymer other than polydextrose SANOFI (FR) 2015-07-21 US claimed
EP-1791524-B1 PHARMACEUTICAL COMPOSITION COMPRISING A SOLID DISPERSION WITH A POLYMER MATRIX CONTAINING A CONTINUOUS POLYDEXTROSE PHASE AND A CONTINUOUS PHASE OF A POLYMER OTHER THAN POLYDEXTROSE SANOFI SA (FR) 2014-11-19 EP claimed
US-20070243257-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SOLID DISPERSION WITH A POLYMER MATRIX CONTAINING A CONTINUOUS POLYDEXTROSE PHASE AND A CONTINUOUS PHASE OF A POLYMER OTHER THAN POLYDEXTROSE SANOFI-AVENTIS (FR) 2007-10-18 US claimed
EP-1752149-A1 CB1 Antagonists or inverse agonists as therapeutical agents for the treatment of inflammation involving gene expression LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-14 EP 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-9084730-B2 Pharmaceutical composition comprising a solid dispersion with a polymer matrix containing a continuous polydextrose phase and a continuous phase of a polymer other than polydextrose SANOFI (FR) 2015-07-21 US disclosed
EP-1791524-B1 PHARMACEUTICAL COMPOSITION COMPRISING A SOLID DISPERSION WITH A POLYMER MATRIX CONTAINING A CONTINUOUS POLYDEXTROSE PHASE AND A CONTINUOUS PHASE OF A POLYMER OTHER THAN POLYDEXTROSE SANOFI SA (FR) 2014-11-19 EP disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20040192667-A1 Novel pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT 2004-09-30 US disclosed
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 US disclosed
US-6645985-B2 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them, and method of treating SANOFI (FR) 2003-11-11 US disclosed
EP-1150961-B1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-22 EP 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
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-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885CYP2C9 283/4885
US-20040192667-A1 Novel pyrazole analogs acting on cannabinoid receptors CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885CYP2C9 661/4885
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885CYP2C9 1185/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885CYP2C9 283/4885

“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.