SCHEMBL4716009

SCHEMBL4716009

CCCCCc1ccc(-c2ccc(CNCCN(CC)CC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
S1PR1 P21453 10/20 0.56
S1PR3 Q99500 10/20 0.56
S1PR2 O95136 8/20 0.56
LPAR2 Q9HBW0 3/20 0.56
S1PR4 O95977 5/20 0.56
S1PR5 Q9H228 1/20 0.50
KCNH2 Q12809 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
RARB P10826 1/20 0.44

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) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4713979 0.81 SMN1; SMN2 (0.53) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3457092 0.81 CHRM2 (0.51) HRH4HRH3S1PR1KCNH2SMN1; SMN2
SCHEMBL4717200 0.80 CYP1A2 (0.53) HRH4HRH3CYP1A2CYP2D6CYP2C19
SCHEMBL4420094 0.80 USP2 (0.60) HRH4HRH3KCNH2SMN1; SMN2LMNA
SCHEMBL17898131 0.79 HRH4 (0.76) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL3456657 0.78 L3MBTL1 (0.51) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5765031 0.78 S1PR2 (0.53) S1PR1S1PR3S1PR2LPAR2CYP1A2
SCHEMBL4717560 0.78 GAA (0.48) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL19217017 0.77 S1PR1 (0.73) HRH4HRH3S1PR1S1PR3S1PR2

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 6 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
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-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 HRH4 1494/4885HRH3 1720/4885S1PR1 148/4885

“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.