SCHEMBL4716698

SCHEMBL4716698

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.43
▸ LSS P48449 1/20 0.43
▸ MAOB P27338 1/20 0.40
▸ KIF11 P52732 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ 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
▸ CACNA1B Q00975 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PPARA Q07869 2/20 0.36
▸ PPARD Q03181 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
SCHEMBL4718047 0.82 LSS (0.42) TRPV3LSSMAOBKIF11ALDH1A1
SCHEMBL5867379 0.78 SCN8A (0.47) LSSMAOBKIF11ALDH1A1SCN8A
SCHEMBL4712578 0.77 MAOB (0.40) TRPV3LSSMAOBKIF11ALDH1A1
SCHEMBL3587117 0.76 KIF11 (0.41) TRPV3LSSMAOBKIF11ALDH1A1
SCHEMBL4717252 0.76 CHKA (0.48) TRPV3ALDH1A1CACNA1BKCNH2
SCHEMBL4423057 0.75 SCN8A (0.51) LSSMAOBKIF11ALDH1A1SCN8A
SCHEMBL4715255 0.75 MAOB (0.41) TRPV3MAOBKIF11ALDH1A1SCN8A
SCHEMBL6357114 0.75 MAOB (0.49) MAOBKIF11ALDH1A1SCN8AS1PR1
SCHEMBL4715903 0.74 ALDH1A1 (0.46) TRPV3MAOBKIF11ALDH1A1SCN8A
SCHEMBL16794545 0.74 KIF11 (0.46) MAOBKIF11ALDH1A1SCN8ACYP3A4

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 10 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
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — WO 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 TRPV3 3485/4885LSS 369/4885MAOB 386/4885

“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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