SCHEMBL5146715

SCHEMBL5146715

CCCCCCCCCCCCNC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 1.00
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
CDK8 P49336 1/20 0.52
MAPT P10636 2/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL22803313 1.00 EPHX1 (1.00) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL22803307 1.00 EPHX1 (1.00) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL22803830 0.99 EPHX1 (0.97) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL14288522 0.95 EPHX1 (0.90) EPHX1EPHX2ALDH1A1CDK8MAPT
SCHEMBL22828713 0.90 EPHX1 (0.82) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL22803794 0.90 EPHX1 (0.82) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL22803819 0.89 EPHX1 (0.80) EPHX1EPHX2ALDH1A1HTTCDK8
SCHEMBL9258583 0.86 EPHX1 (0.76) EPHX1MAPTMAOAMAOBHDAC1
SCHEMBL9260337 0.86 EPHX1 (0.76) EPHX1MAPTMAOAMAOBNPC1
SCHEMBL22803310 0.83 EPHX1 (0.71) EPHX1EPHX2MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029550-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-12 US disclosed
US-9029550-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-12 US disclosed
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2013-10-17 US disclosed
US-8501783-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-8501783-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
CN-101405264-B Piperidinyl urea derivatives as inhibitors of soluble epoxide hydrolase for the treatment of hypertension, inflammations and other diseases UNIV CALIFORNIA 2013-07-24 CN disclosed
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-8188289-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
US-8188289-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
US-8188289-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
CN-101405264-A Piperidinyl, indolyl, pirinidyl, morpholinyl and benzimidazolyl urea derivatives as inhibitors of soluble epoxide hydrolase for the treatment of hypertension, inflammations and other diseases UNIV CALIFORNIA (US) 2009-04-08 CN disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 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 (3 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-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885ALDH1A1 405/4885
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885ALDH1A1 365/4885
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885ALDH1A1 405/4885

“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.