SCHEMBL4718264

SCHEMBL4718264

CC(C)(CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.43
▸ HIF1A Q16665 3/20 0.42
▸ EPAS1 Q99814 3/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ CHKA P35790 1/20 0.39
▸ MTTP P55157 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL4717982 0.88 CHKA (0.44) ALDH1A1GAACHKAPOLBHRH3
SCHEMBL4716343 0.87 ALDH1A1 (0.46) ALDH1A1GAACHKAPOLBHRH3
SCHEMBL4717475 0.77 CD274 (0.62) ALDH1A1CD274HIF1AEPAS1HRH3
SCHEMBL4718266 0.77 ALDH1A1 (0.40) ALDH1A1GAACD274TLR7NPC1
SCHEMBL4418944 0.77 CD274 (0.50) ALDH1A1CD274HIF1AEPAS1MTTP
SCHEMBL4718156 0.75 CYP2C19 (0.64) CD274HIF1AEPAS1RAB9AEPHX2
SCHEMBL4717252 0.73 CHKA (0.48) ALDH1A1CHKAHRH3
SCHEMBL4718047 0.72 LSS (0.42) ALDH1A1
SCHEMBL4715255 0.70 MAOB (0.41) ALDH1A1HRH3
SCHEMBL6357114 0.70 MAOB (0.49) ALDH1A1HRH3

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 ALDH1A1 505/4885GAA 604/4885CD274 4190/4885

“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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