SCHEMBL5376889

SCHEMBL5376889

COC(=O)c1ccc(OC2CCCCC2)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
ABL1 P00519 2/20 0.49
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MTNR1A P48039 1/20 0.44
PDE5A O76074 1/20 0.44
YAP1 P46937 1/20 0.44
PARP10 Q53GL7 1/20 0.44
EPHX2 P34913 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL24379188 0.97 HIF1A (0.48) HIF1AABL1MAOBMAOAPTGS1
SCHEMBL8902162 0.90 CA12 (0.55) HIF1AABL1MAOBMAOAPTGS1
SCHEMBL12316317 0.88 CA12 (0.57) HIF1AMAOBMAOAPTGS1PTGS2
SCHEMBL27108931 0.87 HIF1A (0.60) HIF1APTGS1PTGS2PDE5APARP10
SCHEMBL26121415 0.84 HIF1A (0.46) HIF1AABL1MAOBMAOAPTGS1
SCHEMBL5384562 0.83 BTK (0.39) HIF1AABL1MAOBMAOAPTGS1
SCHEMBL21434771 0.83 HRH3 (0.50) HIF1AABL1MAOBMAOAEPHX2
SCHEMBL24379118 0.83 KDM4E (0.41) HIF1AABL1YAP1EPHX2HRH3
SCHEMBL29546647 0.83 KDM4E (0.41) HIF1AABL1YAP1EPHX2HRH3
SCHEMBL20232018 0.82 GAA (0.43) HIF1AABL1YAP1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 HIF1A 4413/4885ABL1 3557/4885MAOB 2145/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS HIF1A 4783/4885ABL1 1771/4885MAOB 2860/4885

“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.