SCHEMBL3367640

SCHEMBL3367640

CC(C)(C)NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.69
CNR2 P34972 10/20 0.66
ALPL P05186 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL3362851 0.86 CNR1 (0.65) CNR1CNR2L3MBTL1POLB
SCHEMBL3369694 0.86 CNR1 (0.65) CNR1CNR2L3MBTL1POLB
SCHEMBL3364881 0.84 CNR1 (0.60) CNR1CNR2L3MBTL1POLB
SCHEMBL3629336 0.82 CNR1 (0.66) CNR1CNR2ALPL
SCHEMBL3367684 0.82 CNR1 (0.65) CNR1CNR2
SCHEMBL3366114 0.82 CNR1 (0.65) CNR1CNR2
SCHEMBL5094249 0.81 CNR1 (0.62) CNR1CNR2L3MBTL1POLB
SCHEMBL3367034 0.80 CNR1 (0.63) CNR1CNR2
Hydrochloric Acid SCHEMBL3363172 0.79 CNR1 (0.98) CNR1CNR2
SCHEMBL674361 0.79 CNR1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP disclosed
US-7319110-B2 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-15 US disclosed
EP-1753413-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB SB 1/SB -ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2007-02-21 EP disclosed
EP-1542678-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS Solvay Pharmaceuticals B.V. (NL) 2005-06-22 EP disclosed
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-09 US disclosed
WO-2005039550-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB1-ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-06-03 US disclosed
WO-2004026301-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB1 RECEPTOR LIGANDS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-04-01 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 (2 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-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity CNR1, CNR2, GPR3 CNR1 1/4885CNR2 2/4885ALPL 4457/4885
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children PNLIP, DLAT, LPCAT3 CNR1 46/4885CNR2 28/4885ALPL 1151/4885

“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.