SCHEMBL3407623

SCHEMBL3407623

CC(O)(CNC(=O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.42
CNR1 P21554 1/20 0.39
HPGDS O60760 2/20 0.38
CFTR P13569 4/20 0.34

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
SCHEMBL3414341 1.00 CNR2 (0.42) CNR2CNR1HPGDSCFTR
SCHEMBL3407617 1.00 CNR2 (0.42) CNR2CNR1HPGDSCFTR
SCHEMBL528718 0.83 CNR1 (0.56) CNR2CNR1HPGDS
SCHEMBL528709 0.82 CNR1 (0.46) CNR2CNR1HPGDS
SCHEMBL529274 0.82 CNR1 (0.46) CNR2CNR1HPGDS
SCHEMBL528708 0.82 CNR1 (0.46) CNR2CNR1HPGDS
SCHEMBL528736 0.81 CNR1 (0.46) CNR2CNR1
SCHEMBL4237845 0.75 CNR1 (0.52) CNR2CNR1
SCHEMBL4243134 0.75 CNR1 (0.52) CNR2CNR1
SCHEMBL4242251 0.75 CNR1 (0.52) CNR2CNR1

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 CNR2 1312/4885CNR1 910/4885HPGDS 4382/4885

“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.