SCHEMBL4717982

SCHEMBL4717982

CC(C)(CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAOB P27338 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL4716343 0.99 ALDH1A1 (0.46) CHKAALDH1A1KDM4EMAOBKCNH2
SCHEMBL4718264 0.88 ALDH1A1 (0.44) CHKAALDH1A1HRH3POLBGAA
SCHEMBL4717252 0.82 CHKA (0.48) CHKAALDH1A1KDM4EKCNH2HRH3
SCHEMBL4715903 0.75 ALDH1A1 (0.46) CHKAALDH1A1MAOBKCNH2KIF11
SCHEMBL3456158 0.75 DPP7 (0.59) CHKAALDH1A1KDM4EHRH3SLC2A1
SCHEMBL4718047 0.74 LSS (0.42) ALDH1A1MAOBKCNH2KIF11SCN8A
SCHEMBL3458281 0.74 DPP7 (0.57) CHKAALDH1A1KDM4EHRH3MCHR1
SCHEMBL4715255 0.73 MAOB (0.41) ALDH1A1MAOBKCNH2HRH3KIF11
SCHEMBL4718128 0.73 CACNA1B (0.52) CHKAALDH1A1KDM4EHRH3MCHR1
SCHEMBL6357114 0.73 MAOB (0.49) ALDH1A1MAOBKCNH2HRH3KIF11

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 CHKA 1425/4885ALDH1A1 505/4885KDM4E 3484/4885

“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.

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