SCHEMBL1382260

SCHEMBL1382260

O=C(NC(O)C1CCCC1)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 17/20 0.68
▸ CNR2 P34972 3/20 0.55
▸ CTSA P10619 2/20 0.45
▸ BCL9 O00512 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43

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
SCHEMBL1380835 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL2704940 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL2704941 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL2704405 0.80 CNR1 (0.66) CNR1CNR2
SCHEMBL3845794 0.79 CNR1 (0.74) CNR1CNR2
SCHEMBL3845796 0.79 CNR1 (0.74) CNR1CNR2
SCHEMBL2703725 0.79 CNR1 (0.65) CNR1CNR2
SCHEMBL1382257 0.78 CNR1 (0.64) CNR1CNR2
SCHEMBL1378115 0.78 CNR1 (0.70) CNR1CNR2BCL9CTNNB1
SCHEMBL1376961 0.77 CNR1 (0.67) CNR1CNR2CTSA

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 1/4885CNR2 2/4885CTSA 843/4885

“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.

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