SCHEMBL3457414

SCHEMBL3457414

FC(F)(F)c1ccc(-c2ccc(CNCCCCN3CCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.51
HRH3 Q9Y5N1 2/20 0.51
CACNA1H O95180 1/20 0.50
CHKA P35790 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
DPP7 Q9UHL4 1/20 0.48
HDAC1 Q13547 1/20 0.47
MCHR1 Q99705 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN8A Q9UQD0 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
EPHX2 P34913 1/20 0.44
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL4718128 0.96 CACNA1B (0.52) CACNA1BHRH3CACNA1HCHKAKDM4E
SCHEMBL4717385 0.95 CACNA1B (0.53) CACNA1BHRH3CACNA1HCHKAKDM4E
SCHEMBL3456158 0.91 DPP7 (0.59) CACNA1BHRH3CACNA1HCHKAKDM4E
SCHEMBL3458281 0.89 DPP7 (0.57) CACNA1BHRH3CACNA1HCHKAKDM4E
Hydrochloric Acid SCHEMBL5754540 0.85 DPP7 (0.62) CACNA1BHRH3CACNA1HCHKAKDM4E
SCHEMBL4718156 0.85 CYP2C19 (0.64) CYP3A4CYP2D6CYP2C19EPHX2
Hydrochloric Acid SCHEMBL5754920 0.83 DPP7 (0.60) CACNA1BHRH3CACNA1HKDM4EALDH1A1
SCHEMBL13014108 0.81 HRH3 (0.61) CACNA1BHRH3CACNA1HCHKAKDM4E
SCHEMBL3179432 0.80 DPP7 (0.66) DPP7HDAC1SCN5ACYP3A4CYP2D6
SCHEMBL4717475 0.79 CD274 (0.62) HRH3ALDH1A1CYP3A4CYP2D6CYP2C19

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 14 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

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 CACNA1B 3210/4885HRH3 1754/4885CACNA1H 3590/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CACNA1B 3625/4885HRH3 1720/4885CACNA1H 3567/4885

“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.