SCHEMBL4717252

SCHEMBL4717252

CC(C)(CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.40
▸ CACNA1B Q00975 4/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ CACNA1H O95180 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ SLC2A1 P11166 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 0.82 CHKA (0.44) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL4716343 0.81 ALDH1A1 (0.46) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL3456158 0.79 DPP7 (0.59) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL3458281 0.77 DPP7 (0.57) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL4718128 0.76 CACNA1B (0.52) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL4716698 0.76 TRPV3 (0.43) ALDH1A1KCNH2TRPV3CACNA1B
SCHEMBL4717385 0.75 CACNA1B (0.53) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL3457414 0.75 CACNA1B (0.51) CHKAKDM4EALDH1A1HRH3MCHR1
SCHEMBL4718264 0.73 ALDH1A1 (0.44) CHKAALDH1A1HRH3
SCHEMBL4715903 0.73 ALDH1A1 (0.46) CHKAALDH1A1KCNH2TRPV3

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 1425/4885KDM4E 3484/4885ALDH1A1 505/4885

“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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