SCHEMBL8232157

SCHEMBL8232157

O=C(NC1CCCCC1)NC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 1.00
EPHX2 P34913 5/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.52
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL7427277 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15733339 0.98 EPHX1 (0.96) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5142091 0.91 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL28171895 0.89 EPHX1 (0.95) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13459981 0.88 EPHX1 (0.78) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19086886 0.86 EPHX1 (0.91) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308699 0.86 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15093798 0.86 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308701 0.86 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196125 0.86 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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 13 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
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-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 2/4885NPC1 1229/4885
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885NPC1 1270/4885
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885NPC1 1229/4885

“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.