SCHEMBL4715903

SCHEMBL4715903

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ TMEM97 Q5BJF2 4/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ KIF11 P52732 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ FDFT1 P37268 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ LMNA P02545 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
SCHEMBL4715255 0.81 MAOB (0.41) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL4712578 0.77 MAOB (0.40) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL6354279 0.77 ALDH1A1 (0.63) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL4718047 0.77 LSS (0.42) ALDH1A1TMEM97KCNH2KMT2AMAOB
SCHEMBL3587117 0.76 KIF11 (0.41) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL4717982 0.75 CHKA (0.44) ALDH1A1KCNH2MAOBKIF11SCN8A
SCHEMBL6357114 0.75 MAOB (0.49) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL5052739 0.75 MAOB (0.49) ALDH1A1TMEM97KCNH2MAOBKIF11
SCHEMBL14415405 0.75 ALDH1A1 (0.53) ALDH1A1TMEM97KCNH2KMT2AMEN1
SCHEMBL4716698 0.74 TRPV3 (0.43) ALDH1A1TMEM97KCNH2KMT2AMAOB

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 7 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-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 505/4885TMEM97 2156/4885KCNH2 4121/4885

“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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