SCHEMBL3407634

SCHEMBL3407634

O=C(O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
GFER P55789 1/20 0.39
PTGS2 P35354 1/20 0.39
DHODH Q02127 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
PSD A5PKW4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2704224 0.85 CNR1 (0.47) CNR1PTGDR2CNR2
SCHEMBL410983 0.79 CNR1 (0.48) CNR1PTGDR2KCNH2SCN5ASCN2A
SCHEMBL530331 0.78 CNR1 (0.72) CNR1CNR2
SCHEMBL11889853 0.78 CNR1 (0.72) CNR1CNR2
SCHEMBL4241624 0.78 CNR1 (0.72) CNR1CNR2
SCHEMBL4237824 0.78 CNR1 (0.72) CNR1CNR2
SCHEMBL528718 0.78 CNR1 (0.56) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL529258 0.78 CNR1 (0.72) CNR1CNR2
SCHEMBL440662 0.78 CNR1 (0.62) CNR1PTGDR2KCNH2SCN5ASCN2A
SCHEMBL4064121 0.77 DHODH (0.39) CNR1PTGDR2KCNH2SCN5ASCN2A

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-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2262770-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009121740-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 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-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, NPC1 CNR1 910/4885PTGDR2 4200/4885KCNH2 2387/4885

“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.