SCHEMBL3844262

SCHEMBL3844262

COCCN(C)c1ncc(C(=O)O)cc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR2 P21452 1/20 0.43
ABL1 P00519 7/20 0.42
F10 P00742 3/20 0.41
MAP4K4 O95819 1/20 0.41
SLC6A9 P48067 1/20 0.40
CTSA P10619 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL1377294 0.80 CNR1 (0.78) CNR1TACR2
SCHEMBL2704757 0.79 CNR1 (0.66) CNR1TACR2ABL1
SCHEMBL2703056 0.79 CNR1 (0.63) CNR1TACR2ABL1MAP4K4CTSA
SCHEMBL1378074 0.79 CNR1 (0.58) CNR1TACR2
SCHEMBL3815469 0.77 MEN1 (0.43) CNR1MEN1KMT2AEGLN1PPARD
SCHEMBL3844536 0.77 HCAR3 (0.40) MEN1KMT2AEGLN1
SCHEMBL16554974 0.74 CTSA (0.56) CNR1TACR2MAP4K4CTSA
SCHEMBL30791383 0.74 CTSA (0.56) CNR1TACR2MAP4K4CTSA
SCHEMBL411087 0.73 CNR1 (0.51) CNR1TACR2MAP4K4CTSA
SCHEMBL442533 0.72 MAP4K4 (0.55) CNR1MAP4K4EGLN1

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 5 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 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 1/4885MEN1 2689/4885KMT2A 1640/4885

“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.