SCHEMBL8926147

SCHEMBL8926147

O=C(Nc1ccc2nc[nH]c2c1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 1.00
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
QPCT Q16769 1/20 0.55
EPHX2 P34913 2/20 0.55
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL4355017 0.90 EPHX1 (0.82) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3984997 0.78 NPC1 (0.79) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27548486 0.76 NAMPT (0.67) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13756244 0.76 EPHX1 (0.86) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL24821374 0.76 IP6K1 (0.60) EPHX1NPC1MEN1ALDH1A1KMT2A
SCHEMBL5265936 0.75 NAMPT (0.66) EPHX1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5527183 0.75 NPC1 (0.68) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30050799 0.75 QPCT (0.75) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5144212 0.74 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13756248 0.74 EPHX1 (0.83) EPHX1RAB9ANPC1SMN1; SMN2MEN1

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 12 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

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 1/4885RAB9A 3947/4885NPC1 1229/4885
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885RAB9A 3888/4885NPC1 1270/4885
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885RAB9A 3947/4885NPC1 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.