SCHEMBL4000643

SCHEMBL4000643

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1CBr

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
CNR1 P21554 7/20 0.57
CNR2 P34972 4/20 0.57
KCNH2 Q12809 1/20 0.52

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
SCHEMBL4632916 0.95 CNR1 (0.59) GABRA2GABRB2CNR1CNR2
SCHEMBL12907765 0.93 GABRA2 (0.56) GABRA2GABRB2CNR1CNR2
SCHEMBL2874753 0.93 CNR1 (0.66) GABRA2GABRB2CNR1CNR2KCNH2
SCHEMBL12053889 0.92 CNR1 (0.62) GABRA2GABRB2CNR1CNR2KCNH2
SCHEMBL4911810 0.90 GABRA2 (0.58) GABRA2GABRB2CNR1CNR2
SCHEMBL13672836 0.90 CNR1 (0.57) GABRA2GABRB2CNR1CNR2KCNH2
SCHEMBL3997267 0.90 CNR1 (0.59) GABRA2GABRB2CNR1CNR2KCNH2
SCHEMBL30961554 0.89 CNR1 (0.68) GABRA2GABRB2CNR1CNR2
SCHEMBL2627954 0.89 CNR1 (0.68) GABRA2GABRB2CNR1CNR2
SCHEMBL2865960 0.87 CNR1 (0.61) GABRA2GABRB2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-7745440-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2010-06-29 US disclosed
US-7745440-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2010-06-29 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-7393842-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2008-07-01 US disclosed
US-7393842-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2008-07-01 US disclosed
US-20070276001-A1 Biphenyl-pyrazolecarboxamide compounds CONCERT PHARMACEUTICALS INC. (US) 2007-11-29 US disclosed
WO-2007033366-A2 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2007-03-22 WO disclosed
US-20070066657-A1 obesity, smoking cessation, and normalization of blood lipid composition; reduced rates of hepatic oxidative metabolism, ability to penetrate the blood-brain barrier; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteromethyl)-1H-pyrazole-3-carboxylic acid; cannabinoid receptor antagonist CONCERT PHARMACEUTICALS INC. (US) 2007-03-22 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
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

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

For each of this compound's patents that has machine-readable text (5 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 GABRA2 293/4885GABRB2 180/4885CNR1 2/4885
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 GABRA2 81/4885GABRB2 177/4885CNR1 1/4885
US-20070276001-A1 Biphenyl-pyrazolecarboxamide compounds CNR2, CNR1, GPR119 GABRA2 293/4885GABRB2 180/4885CNR1 2/4885
US-20070066657-A1 obesity, smoking cessation, and normalization of blood lipid composition; reduced rates of hepatic oxidative metabolism, ability to penetrate the blood-brain barrier; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteromethyl)-1H-pyrazole-3-carboxylic acid; cannabinoid receptor antagonist CNR2, CNR1, GPR119 GABRA2 550/4885GABRB2 309/4885CNR1 2/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 GABRA2 81/4885GABRB2 177/4885CNR1 1/4885

“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.