SCHEMBL4712489

SCHEMBL4712489

CCN(CC)CCNCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
LOXL2 Q9Y4K0 1/20 0.49
HRH4 Q9H3N8 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2A6 P11509 1/20 0.43
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 1/20 0.40
LSS P48449 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL3457044 0.83 HRH3 (0.51) HRH3HRH4USP2HTT
SCHEMBL3457092 0.81 CHRM2 (0.51) HRH3HRH4CA12CA1CA2
SCHEMBL4713979 0.81 SMN1; SMN2 (0.53) HRH3HRH4USP2HTT
SCHEMBL4717200 0.80 CYP1A2 (0.53) HRH3HRH4CA12CA1CA2
SCHEMBL4420094 0.80 USP2 (0.60) HRH3HRH4USP2HTTMCHR1
SCHEMBL3456657 0.78 L3MBTL1 (0.51) HRH3HRH4USP2HTTMCHR1
SCHEMBL4717560 0.78 GAA (0.48) HRH3HRH4CA12CA1CA2
SCHEMBL15831741 0.77 LOXL2 (0.62) HRH3LOXL2HRH4SCN8ATSHR
SCHEMBL29912750 0.77 LOXL2 (0.65) LOXL2SCN8ACA12CA1CA2
SCHEMBL3456757 0.77 MCHR1 (0.48) HRH3HRH4SCN8AUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B HRH3 1720/4885LOXL2 127/4885HRH4 1494/4885

“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.