SCHEMBL7011901

SCHEMBL7011901

COC(=O)CCc1ccn(C)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
KAT2B Q92831 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 1/20 0.37
OR51E2 Q9H255 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL10377276 0.85 CYP4F2 (0.53) KAT2BHRH3ALDH1A1LMNAKDM4E
SCHEMBL21550065 0.84 TSHR (0.48) KAT2BALDH1A1MAPTKDM4E
SCHEMBL10377019 0.82 KEAP1 (0.46) LMNA
SCHEMBL28839373 0.78 CHRNA7 (0.49) PTPN1LMNA
SCHEMBL16118975 0.74 MGLL (0.39)
SCHEMBL22922181 0.73 CYP4F2 (0.59) HRH3ALDH1A1LMNAMAPTHTT
SCHEMBL22597186 0.73 TUBB4A (0.41) HRH3ALDH1A1LMNAMAPT
SCHEMBL21617914 0.73 LMNA (0.60) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL12937829 0.73 TAAR1 (0.41) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL22230126 0.73 RPS6KA3 (0.41) PTPN1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C PTPN1 2386/4885KAT2B 2777/4885SIRT2 2920/4885

“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.