SCHEMBL13869447

SCHEMBL13869447

C=C(OCC)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.56
CNR2 P34972 6/20 0.53
PPARA Q07869 1/20 0.51

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
SCHEMBL13672829 0.88 CNR1 (0.61) CNR1CNR2PPARA
SCHEMBL29838956 0.76 CNR2 (0.71) CNR1CNR2
SCHEMBL923180 0.76 CNR2 (0.71) CNR1CNR2
SCHEMBL923308 0.76 CNR1 (0.63) CNR1CNR2
SCHEMBL972368 0.75 CNR1 (0.62) CNR1CNR2
SCHEMBL4187487 0.75 CNR1 (0.59) CNR1CNR2
SCHEMBL277240 0.75 CNR1 (0.59) CNR1CNR2PPARA
SCHEMBL17163901 0.74 CNR2 (0.62) CNR1CNR2
SCHEMBL923181 0.74 CNR1 (0.61) CNR1CNR2
SCHEMBL2865960 0.74 CNR1 (0.61) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514068-B2 Biphenyl-pyrazolecarboxamide compounds CONCERT PHARMACEUTICALS INC. (US) 2009-04-07 US 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 (1 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-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 1/4885PPARA 13/4885

“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.