SCHEMBL3363501

SCHEMBL3363501

O=C(NN1CCOCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.81
CNR2 P34972 10/20 0.81
CYP2C9 P11712 2/20 0.64
GPR55 Q9Y2T6 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ABCC4 O15439 1/20 0.56
MLNR O43193 1/20 0.56
ABCB11 O95342 1/20 0.56
CHRM2 P08172 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 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
SCHEMBL675967 0.91 CNR1 (0.98) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL5814976 0.90 CNR1 (1.00) CNR1CNR2CYP2C9GPR55CYP1A2
Hydrochloric Acid SCHEMBL3365683 0.90 CNR1 (0.98) CNR1CNR2CYP2C9GPR55CYP1A2
Hydrochloric Acid SCHEMBL3365107 0.89 CNR1 (1.00) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL17645251 0.82 CNR1 (0.56) CNR1CNR2CYP2C9GPR55KDM4E
SCHEMBL674988 0.82 CNR1 (0.81) CNR1CNR2
Hydrochloric Acid SCHEMBL3368663 0.81 CNR1 (0.81) CNR1CNR2
SCHEMBL3815250 0.78 CNR2 (0.91) CNR1CNR2CYP2C9GPR55KDM4E
SCHEMBL29835959 0.78 CNR1 (1.00) CNR1CNR2CYP2C9GPR55KDM4E
SCHEMBL3365144 0.78 CNR1 (0.77) CNR1CNR2CYP2C9GPR55CYP1A2

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 7 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
WO-2006030285-A1 NEW 1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-23 WO 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
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 2/4885CYP2C9 1502/4885
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 28/4885CYP2C9 2475/4885

“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.