SCHEMBL528709

SCHEMBL528709

CC(O)(CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)c(OCC(F)(F)F)nc1C(F)(F)F)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 8/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM1 P11229 1/20 0.36
HPGDS O60760 1/20 0.36
CTSS P25774 1/20 0.36
P2RX7 Q99572 3/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL528708 1.00 CNR1 (0.46) CNR1CNR2CYP1A2CHRM1HPGDS
SCHEMBL529274 1.00 CNR1 (0.46) CNR1CNR2CYP1A2CHRM1HPGDS
SCHEMBL528718 0.91 CNR1 (0.56) CNR1CNR2CYP1A2HPGDSSCN5A
SCHEMBL528736 0.89 CNR1 (0.46) CNR1CNR2CYP1A2CHRM1
SCHEMBL213032 0.85 CNR1 (0.44) CNR1CNR2CYP1A2HPGDSSLC6A3
SCHEMBL3407623 0.82 CNR2 (0.42) CNR1CNR2HPGDS
SCHEMBL3414341 0.82 CNR2 (0.42) CNR1CNR2HPGDS
SCHEMBL3407617 0.82 CNR2 (0.42) CNR1CNR2HPGDS
SCHEMBL14856797 0.81 CNR1 (0.40) CNR1CNR2CYP1A2HPGDSPIK3CA
SCHEMBL212569 0.77 CNR1 (0.54) 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 16 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-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 claimed
EP-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP claimed
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 claimed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
EP-2262770-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009121740-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO 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 3764/4885CYP1A2 4179/4885
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 3764/4885CYP1A2 4179/4885
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 3896/4885CYP1A2 4210/4885
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, NPC1 CNR1 910/4885CNR2 1312/4885CYP1A2 372/4885

“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.