SCHEMBL3365540

SCHEMBL3365540

CN(C(=O)c1nc(-c2cc(Cl)ccc2Cl)n(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.49
KDM4E B2RXH2 1/20 0.49
CNR2 P34972 2/20 0.47
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
POLB P06746 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL3365398 0.82 HTT (0.56) CNR1CNR2KMT2AHTTPOLB
SCHEMBL3365429 0.75 CNR1 (0.54) CNR1CNR2KMT2AL3MBTL1ALDH1A1
SCHEMBL3364663 0.73 CNR1 (0.70) CNR1CNR2
SCHEMBL3364995 0.72 CNR1 (0.85) CNR1CNR2NPC1RAB9APOLB
SCHEMBL3366114 0.72 CNR1 (0.65) CNR1CNR2KMT2AHTT
SCHEMBL3367684 0.72 CNR1 (0.65) CNR1CNR2KMT2AHTT
SCHEMBL31518942 0.72 MALT1 (0.55) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL3366256 0.72 CNR1 (0.69) CNR1CNR2
SCHEMBL3365725 0.72 CNR1 (0.69) CNR1CNR2
SCHEMBL3366834 0.71 CNR1 (0.62) 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 1/4885KDM4E 2773/4885CNR2 2/4885
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 46/4885KDM4E 2948/4885CNR2 28/4885

“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.