SCHEMBL1379050

SCHEMBL1379050

CC(O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.66
PTGS2 P35354 2/20 0.45
HPGDS O60760 1/20 0.44
CNR2 P34972 3/20 0.43
CYP2C9 P11712 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TACR2 P21452 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL1377491 0.93 CNR1 (0.66) CNR1PTGS2HPGDSCNR2CYP2C9
SCHEMBL1381328 0.92 CNR1 (0.78) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL3844273 0.91 CNR1 (0.80) CNR1CNR2GPBAR1
SCHEMBL2704106 0.91 CNR1 (0.80) CNR1CNR2GPBAR1
SCHEMBL1377747 0.91 CNR1 (0.64) CNR1PTGS2CNR2CYP2C9MAPK14
SCHEMBL2704110 0.91 CNR1 (0.80) CNR1CNR2GPBAR1
SCHEMBL1377750 0.91 CNR1 (0.64) CNR1PTGS2CNR2CYP2C9MAPK14
SCHEMBL2704555 0.91 CNR1 (0.64) CNR1PTGS2CNR2CYP2C9MAPK14
SCHEMBL3924944 0.82 CNR1 (0.45) CNR1PTGS2HPGDSCNR2SCN10A
SCHEMBL4013402 0.82 CNR1 (0.64) CNR1HPGDSCNR2KCNH2SCN5A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712865-B2 2011-06-29 JP claimed
EP-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 EP claimed
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP claimed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US claimed
US-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US claimed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
EP-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US disclosed
US-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US disclosed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 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 (1 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-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists CNR1, CNR2, GPR119 CNR1 1/4885PTGS2 2977/4885HPGDS 3155/4885

“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.