SCHEMBL530331

SCHEMBL530331

O=C(N[C@H]1CCCC[C@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.72
CNR2 P34972 2/20 0.54
TACR2 P21452 1/20 0.54

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
SCHEMBL11889853 1.00 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL529258 1.00 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL4241624 1.00 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL4237824 1.00 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL2702757 0.91 CNR1 (0.67) CNR1CNR2TACR2
SCHEMBL2704792 0.90 CNR1 (0.71) CNR1CNR2TACR2
SCHEMBL2703084 0.90 CNR1 (0.71) CNR1CNR2TACR2
SCHEMBL532048 0.90 CNR1 (0.70) CNR1CNR2TACR2
SCHEMBL4237852 0.87 CNR1 (0.58) CNR1CNR2TACR2
SCHEMBL9932180 0.84 CNR1 (1.00) CNR1CNR2TACR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 US claimed
EP-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP claimed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 US claimed
US-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2015-12-31 US disclosed
US-20140309426-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTRÉAL (CA) 2014-10-16 US disclosed
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 US disclosed
EP-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP disclosed
EP-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO 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 (4 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-20140309426-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP CNR1 3767/4885CNR2 3764/4885TACR2 3280/4885
US-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP CNR1 3767/4885CNR2 3764/4885TACR2 3280/4885
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP CNR1 3870/4885CNR2 3896/4885TACR2 3412/4885
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, NPC1 CNR1 910/4885CNR2 1312/4885TACR2 2121/4885

“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.