SCHEMBL1574622

SCHEMBL1574622

Cc1cc(C)cc(NC(=O)N2CC(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.49
LIPE Q05469 4/20 0.48
TRPV1 Q8NER1 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
SCN10A Q9Y5Y9 2/20 0.43

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
SCHEMBL1574801 0.89 LIPE (0.51) EPHX2LIPETRPV1POLBCYP2C9
SCHEMBL1574964 0.88 BACE1 (0.49) EPHX2LIPETRPV1POLBCYP2C9
SCHEMBL1574888 0.88 LMNA (0.52) EPHX2LIPETRPV1POLBCYP2C9
SCHEMBL1575220 0.87 MAPT (0.57) EPHX2LIPETRPV1CYP2C9CYP2C19
SCHEMBL1574999 0.87 EPHX2 (0.53) EPHX2LIPECYP2C9CYP2C19MAPT
SCHEMBL1574384 0.86 LIPE (0.47) EPHX2LIPETRPV1CYP2C9CYP2C19
SCHEMBL1574795 0.86 LIPE (0.61) EPHX2LIPETRPV1POLBCYP2C9
SCHEMBL1574301 0.85 LIPE (0.54) EPHX2LIPETRPV1POLBCYP2C9
SCHEMBL1575480 0.85 MAPT (0.57) EPHX2LIPETRPV1CYP2C9CYP2C19
SCHEMBL1575426 0.85 LMNA (0.49) EPHX2LIPECYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765783-B2 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation ONO PHARMACEUTICALS CO., LTD. (JP) 2014-07-01 US disclosed
EP-1522314-B1 REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION ONO PHARMACEUTICAL CO (JP) 2014-03-05 EP disclosed
EP-2508204-A2 Remedies for diseases caused by vascular contraction or dilation ONO PHARMACEUTICAL CO., LTD. (JP) 2012-10-10 EP disclosed
EP-2308562-A2 Azetidine ring compounds and drugs comprising the same Ono Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-7511159-B2 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20070135402-A1 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 US disclosed
EP-1698375-A1 AZETIDINE RING COMPOUNDS AND DRUGS COMPRISING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060148844-A1 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation ONO PHARMACEUTICAL CO., LTD 2006-07-06 US disclosed
EP-1522314-A1 REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-13 EP 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-20070135402-A1 Azetidine ring compounds and drugs comprising the same EDNRA, LIPG, EDNRB EPHX2 489/4885LIPE 295/4885TRPV1 1741/4885
US-20060148844-A1 Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation EDNRA, EDNRB, CACNG5 EPHX2 1078/4885LIPE 2110/4885TRPV1 115/4885

“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.