SCHEMBL3844536

SCHEMBL3844536

COCCN(C)c1ncc(C(=O)O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.36
TPMT P51580 1/20 0.36
DGAT1 O75907 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SLC9A5 Q14940 1/20 0.34
ATR Q13535 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13037462 0.78 KDM4E (0.52) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL17075550 0.77 KDM4E (0.56) HCAR3EGLN1KDM4EALDH1A1ALOX15
SCHEMBL443075 0.74 HCAR3 (0.43) HCAR3KDM4EMAPK1TPMTPOLB
SCHEMBL21835792 0.73 MGAM (0.47) HCAR3EGLN1
SCHEMBL23684785 0.71 KCNQ3 (0.38) HCAR3EGLN1TPMTDGAT1POLB
SCHEMBL1256139 0.69 KDM4C (0.46) HCAR3EGLN1KDM4EALDH1A1DGAT1
SCHEMBL28088519 0.69 KDM4E (0.50) HCAR3KDM4EALDH1A1MAPK1TPMT
SCHEMBL22078918 0.69 HDAC1 (0.51) DGAT1POLB
SCHEMBL31133274 0.68 TPMT (0.49) KDM4EALDH1A1ALOX15HSD17B10MAPK1
SCHEMBL1809302 0.68 TPMT (0.49) KDM4EALDH1A1ALOX15HSD17B10MAPK1

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 HCAR3 58/4885EGLN1 648/4885KDM4E 1005/4885

“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.