SCHEMBL4243473

SCHEMBL4243473

O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.52
TDO2 P48775 1/20 0.42
CNR2 P34972 4/20 0.42
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ABHD12 Q8N2K0 1/20 0.37
CHRM1 P11229 5/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL4243134 1.00 CNR1 (0.52) CNR1TDO2CNR2HDAC4HDAC6
SCHEMBL4237729 1.00 CNR1 (0.52) CNR1TDO2CNR2HDAC4HDAC6
SCHEMBL4242251 1.00 CNR1 (0.52) CNR1TDO2CNR2HDAC4HDAC6
SCHEMBL4237845 1.00 CNR1 (0.52) CNR1TDO2CNR2HDAC4HDAC6
SCHEMBL4241142 0.84 CNR1 (0.53) CNR1CNR2HDAC4HDAC6LOXL2
SCHEMBL4241624 0.82 CNR1 (0.72) CNR1CNR2
SCHEMBL530331 0.82 CNR1 (0.72) CNR1CNR2
SCHEMBL4237824 0.82 CNR1 (0.72) CNR1CNR2
SCHEMBL529258 0.82 CNR1 (0.72) CNR1CNR2
SCHEMBL11889853 0.82 CNR1 (0.72) CNR1CNR2

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 3 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
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 910/4885TDO2 4332/4885CNR2 1312/4885

“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.