SCHEMBL4716343

SCHEMBL4716343

CC(C)(CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CHKA P35790 1/20 0.43
▸ MCHR1 Q99705 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 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
SCHEMBL4717982 0.99 CHKA (0.44) ALDH1A1KDM4ECHKAMCHR1CACNA1B
SCHEMBL4718264 0.87 ALDH1A1 (0.44) ALDH1A1CHKAHRH3POLBGAA
SCHEMBL4717252 0.81 CHKA (0.48) ALDH1A1KDM4ECHKAMCHR1CACNA1B
SCHEMBL3458281 0.76 DPP7 (0.57) ALDH1A1KDM4ECHKAMCHR1CACNA1B
SCHEMBL4715903 0.74 ALDH1A1 (0.46) ALDH1A1CHKAMEN1KMT2AMAOB
SCHEMBL3456158 0.74 DPP7 (0.59) ALDH1A1KDM4ECHKAMCHR1CACNA1B
SCHEMBL4717385 0.74 CACNA1B (0.53) ALDH1A1KDM4ECHKAMCHR1CACNA1B
SCHEMBL4718047 0.73 LSS (0.42) ALDH1A1KMT2AMAOBKCNH2KIF11
SCHEMBL4715255 0.72 MAOB (0.41) ALDH1A1MEN1KMT2AMAOBKCNH2
SCHEMBL4718128 0.72 CACNA1B (0.52) ALDH1A1KDM4ECHKAMCHR1CACNA1B

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 505/4885KDM4E 3484/4885CHKA 1425/4885

“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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