SCHEMBL3366210

SCHEMBL3366210

O=C(NN1CCCCC1)c1nc(-c2ccccn2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.72
CNR2 P34972 11/20 0.72
ABCC4 O15439 1/20 0.52
MLNR O43193 1/20 0.52
ABCB11 O95342 1/20 0.52
CHRM2 P08172 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52
AGTR1 P30556 1/20 0.52
CCKAR P32238 1/20 0.52
CCKBR P32239 1/20 0.52
MC4R P32245 1/20 0.52
ABCC1 P33527 1/20 0.52

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
SCHEMBL5814976 0.84 CNR1 (1.00) CNR1CNR2ABCC4MLNRABCB11
Hydrochloric Acid SCHEMBL3365107 0.83 CNR1 (1.00) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL675967 0.83 CNR1 (0.98) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL3365144 0.82 CNR1 (0.77) CNR1CNR2ABCC4MLNRABCB11
Hydrochloric Acid SCHEMBL3365683 0.82 CNR1 (0.98) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL12064380 0.79 CNR1 (0.80) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL3363501 0.75 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL674361 0.74 CNR1 (1.00) CNR1CNR2
SCHEMBL3368652 0.74 CNR1 (1.00) CNR1CNR2
Hydrochloric Acid SCHEMBL3368272 0.73 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 6 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
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

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 2/4885ABCC4 2747/4885
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 28/4885ABCC4 2031/4885

“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.