SCHEMBL5265524

SCHEMBL5265524

O=C(NC1CCCCCCC1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 14/20 1.00
▸ EPHX2 P34913 5/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ MAPT P10636 1/20 0.70
▸ KMT2A Q03164 2/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61

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
SCHEMBL12196101 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196126 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196125 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL23960132 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
1,3-Dicyclohexylurea SCHEMBL2755 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308701 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15093798 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308699 1.00 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15277551 0.97 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15277631 0.97 EPHX1 (0.94) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
EP-1844767-B1 Compounds complexing epoxide hydrolase and their use for treating inflammation UNIV CALIFORNIA (US) 2012-08-29 — — EP disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 — — US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 — — US disclosed
EP-1844767-A2 Epoxide hydrolase complexes and methods therewith The Regents of the University of California (US) 2007-10-17 — — EP disclosed
EP-1154764-B1 USE OF EPOXIDE HYDROLASE COMPLEXES FOR TREATING HYPERTENSION UNIV CALIFORNIA (US) 2007-10-10 — — EP disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — US disclosed
US-20060035869-A1 Inhibitors of epoxide hydrolases for the treatment of hypertension THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2006-02-16 — — US disclosed
EP-1154764-A4 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH UNIV CALIFORNIA (US) 2005-02-16 — — EP disclosed
EP-1154764-A1 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-21 — — EP disclosed
US-6150415-A TREATING EPOXIDE HYDROLASE TO PURIFY, ISOLATE OR INHIBIT THE ENZYME BY CONTACTING A UREA DERIVATIVE OR OTHER SPECIFIED COMPOUNDS IN FREE OR IMMOBILIZED FORM WITH THE ACTIVE ENZYME TO FORM A COMPLEX WHICH MODIFYS THE ENZYME ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-21 — — US disclosed
WO-2000048593-A1 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-24 — — 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 (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-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885NPC1 2648/4885
US-20060035869-A1 Inhibitors of epoxide hydrolases for the treatment of hypertension EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885NPC1 2602/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885EPHX2 4/4885NPC1 3309/4885

“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.

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