SCHEMBL4001933

SCHEMBL4001933

[2H]C1([2H])CC(F)(F)CC([2H])([2H])N1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1CC

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.73
CNR2 P34972 3/20 0.73
KCNH2 Q12809 1/20 0.56

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
SCHEMBL4003231 0.95 CNR1 (0.67) CNR1CNR2KCNH2
Surinabant SCHEMBL4002413 0.92 CNR1 (0.84) CNR1CNR2KCNH2
Surinabant SCHEMBL14338886 0.90 CNR1 (0.78) CNR1CNR2KCNH2
SCHEMBL4000445 0.89 CNR1 (0.73) CNR1CNR2KCNH2
SCHEMBL4006997 0.88 CNR1 (0.72) CNR1CNR2KCNH2
Surinabant SCHEMBL4006293 0.87 CNR1 (0.76) CNR1CNR2KCNH2
Surinabant SCHEMBL675894 0.85 CNR1 (1.00) CNR1CNR2KCNH2
Surinabant SCHEMBL30953789 0.85 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL3997384 0.84 CNR1 (0.67) CNR1CNR2KCNH2
Hydrochloric Acid SCHEMBL4005602 0.83 CNR1 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (3 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-20070276001-A1 Biphenyl-pyrazolecarboxamide compounds CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885KCNH2 1787/4885
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 CNR1 2/4885CNR2 1/4885KCNH2 2669/4885

“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.