SCHEMBL3455748

SCHEMBL3455748

CCN(CC)CCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SCN8A Q9UQD0 1/20 0.49
LMNA P02545 1/20 0.43
MCHR1 Q99705 1/20 0.43
S1PR1 P21453 1/20 0.42
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAOB P27338 1/20 0.39
CHRM2 P08172 1/20 0.39
KIF11 P52732 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC2A1 P11166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR2 P41597 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3456757 0.92 MCHR1 (0.48) HRH4HRH3SCN8ALMNAMCHR1
SCHEMBL4423057 0.86 SCN8A (0.51) HRH4HRH3SCN8ALMNAS1PR1
SCHEMBL11939552 0.82 MAOB (0.44) LMNAMCHR1MAOBHDAC8
SCHEMBL16443930 0.81 HRH4 (0.63) HRH4HRH3SCN8ALMNAS1PR1
SCHEMBL4419877 0.81 SMN1; SMN2 (0.59) HRH4HRH3LMNAMCHR1CHRM2
SCHEMBL14420391 0.81 HRH4 (0.56) HRH4HRH3SCN8AS1PR1MAOB
SCHEMBL27881905 0.80 HRH4 (0.45) HRH4HRH3SCN8AS1PR1MAOB
SCHEMBL5867379 0.80 SCN8A (0.47) HRH4HRH3SCN8AS1PR1MAOB
SCHEMBL3542034 0.80 CACNA1B (0.49) SCN8ALMNAMCHR1
SCHEMBL14021244 0.79 HRH4 (0.50) HRH4HRH3SCN8AS1PR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258688-B1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM LTD (GB) 2012-11-21 EP disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 EP disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed
US-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
EP-1326841-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SmithKline Beecham P.L.C. (GB) 2003-07-16 EP disclosed
WO-2002030904-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO 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 (2 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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B HRH4 1268/4885HRH3 1754/4885SCN8A 4799/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B HRH4 1494/4885HRH3 1720/4885SCN8A 4646/4885

“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.