SCHEMBL13701912

SCHEMBL13701912

COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(C5CCOCC5)cc4C(F)(F)F)cn3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
ALOX5 P09917 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPK14 Q16539 1/20 0.40
BRAF P15056 5/20 0.39
RAF1 P04049 7/20 0.39
DRD3 P35462 1/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
SCD O00767 1/20 0.36
TMEM97 Q5BJF2 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
SCHEMBL4249735 0.83 EPHX2 (0.66) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL13702006 0.83 EPHX2 (0.51) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL13702000 0.82 EPHX2 (0.51) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL4253007 0.78 EPHX2 (0.47) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL13701901 0.77 EPHX2 (0.48) EPHX2BRAFRAF1CSNK1DCSNK1E
SCHEMBL13701906 0.77 EPHX2 (0.70) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL14507829 0.75 EPHX2 (0.69) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL13701891 0.75 EPHX2 (0.73) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL4250463 0.74 EPHX2 (0.70) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3
SCHEMBL4251772 0.73 EPHX2 (0.73) EPHX2SIGMAR1ALOX5TBXAS1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885SIGMAR1 1575/4885ALOX5 60/4885

“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.