SCHEMBL3457225

SCHEMBL3457225

CC(C)(C)OC(=O)N1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.61
GPR119 Q8TDV5 7/20 0.54
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
HDAC4 P56524 1/20 0.50
MAPT P10636 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
PHGDH O43175 1/20 0.49
P2RY14 Q15391 1/20 0.49
SCN9A Q15858 1/20 0.48
MMP13 P45452 1/20 0.48
TGFBR1 P36897 1/20 0.47
EPHX2 P34913 1/20 0.47
STS P08842 1/20 0.47

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
SCHEMBL14037822 0.88 TEAD1 (0.60) TEAD1GPR119BCHEACHEBACE1
SCHEMBL2802531 0.86 TEAD1 (0.54) TEAD1GPR119BCHEACHEBACE1
SCHEMBL8310166 0.86 ALDH1A1 (0.65) GPR119PTPN2PTPN1PTPN6MAPT
SCHEMBL4139902 0.85 DNMT3A (0.56) TEAD1GPR119PTPN2PTPN1PTPN6
SCHEMBL25261179 0.85 TEAD1 (0.52) TEAD1GPR119MAPTBCHEACHE
SCHEMBL8265691 0.85 GPR119 (0.56) GPR119PTPN2PTPN1PTPN6MAPT
SCHEMBL2793493 0.84 GPR119 (0.57) GPR119PTPN2PTPN1PTPN6MAPT
SCHEMBL20566961 0.84 TEAD1 (0.63) TEAD1GPR119SCN9ATGFBR1EPHX2
SCHEMBL5013239 0.83 ALDH1A1 (0.51) TEAD1GPR119PTPN2PTPN1PTPN6
SCHEMBL652849 0.83 HTT (0.57) GPR119MAPTBCHEACHEBACE1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258688-B1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM LTD (GB) 2012-11-21 EP disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 EP 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
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-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 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-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
US-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 US disclosed
EP-1492533-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003086400-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2003-10-23 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 (2 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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B TEAD1 3253/4885GPR119 900/4885PTPN2 2658/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B TEAD1 3136/4885GPR119 482/4885PTPN2 3005/4885

“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.