SCHEMBL4503440

SCHEMBL4503440

CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)c1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 12/20 0.64
GABRB2 P47870 12/20 0.64
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
TARBP2 Q15633 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49

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
SCHEMBL6532756 0.86 GABRA2 (0.59) GABRA2GABRB2CNR1CNR2MAPT
SCHEMBL4513537 0.84 CNR2 (0.65) GABRA2GABRB2CNR1CNR2
SCHEMBL4500829 0.84 CNR2 (0.65) GABRA2GABRB2CNR1CNR2
SCHEMBL1040785 0.80 CNR1 (0.74) CNR1CNR2
SCHEMBL4190918 0.79 GABRA2 (0.58) GABRA2GABRB2CNR1CNR2MAPT
SCHEMBL18003691 0.78 GABRA2 (0.62) GABRA2GABRB2MAPTTARBP2KDM4E
SCHEMBL4510979 0.78 GABRA2 (1.00) GABRA2GABRB2
SCHEMBL5822584 0.78 GABRA2 (0.62) GABRA2GABRB2CNR1CNR2MAPT
SCHEMBL4492910 0.77 CNR2 (0.69) GABRA2GABRB2CNR1CNR2
SCHEMBL923180 0.77 CNR2 (0.71) 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
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 US disclosed
US-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. 2009-07-16 US disclosed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP disclosed
US-7109216-B2 1H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-09-19 US disclosed
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-10 US disclosed
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-11-25 US disclosed
EP-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 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 (3 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-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY CNR1, CNR2, CHRM1 GABRA2 67/4885GABRB2 182/4885CNR1 1/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 GABRA2 75/4885GABRB2 141/4885CNR1 1/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 GABRA2 74/4885GABRB2 135/4885CNR1 1/4885

“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.