SCHEMBL3845281

SCHEMBL3845281

C[C@](O)(CNC(=O)c1cnc(OCc2cccnc2)c(-c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.60
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
CTSA P10619 1/20 0.41
NAMPT P43490 2/20 0.40
GPR132 Q9UNW8 2/20 0.40
GRM4 Q14833 1/20 0.40
PTAFR P25105 1/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3845282 1.00 CNR1 (0.60) CNR1CYP11B1CYP11B2SQORCTSA
SCHEMBL3850706 0.92 CNR1 (0.72) CNR1CNR2
SCHEMBL3850648 0.92 CNR1 (0.72) CNR1CNR2
SCHEMBL3844636 0.91 CNR1 (0.62) CNR1CYP11B1CYP11B2CTSACNR2
SCHEMBL3845925 0.91 CNR1 (0.62) CNR1CYP11B1CYP11B2CTSACNR2
SCHEMBL1379482 0.87 CNR1 (0.59) CNR1CTSA
SCHEMBL1379477 0.87 CNR1 (0.59) CNR1CTSA
SCHEMBL2703717 0.86 CNR1 (0.60) CNR1CTSANAMPT
SCHEMBL2703721 0.86 CNR1 (0.60) CNR1CTSANAMPT
SCHEMBL1377491 0.84 CNR1 (0.66) CNR1CTSACNR2

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-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 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
EP-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 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

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 1/4885CYP11B1 896/4885CYP11B2 1117/4885

“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.