SCHEMBL12196137

SCHEMBL12196137

O=C(NCCc1ccccc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 1.00
EPHX2 P34913 5/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
TP53 P04637 1/20 1.00
TSHR P16473 1/20 1.00
HPGD P15428 1/20 0.73
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 2/20 0.72
TAAR1 Q96RJ0 2/20 0.72
MEN1 O00255 2/20 0.72
LMNA P02545 1/20 0.69
ALOX12 P18054 1/20 0.69
ATM Q13315 1/20 0.67

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
SCHEMBL2752153 0.98 EPHX1 (0.97) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL4955112 0.91 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196139 0.90 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15975494 0.85 EPHX1 (0.75) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196174 0.85 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6436349 0.84 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL14263082 0.83 EPHX1 (0.71) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2752603 0.83 EPHX1 (0.97) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2410205 0.82 EPHX1 (0.70) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL10212124 0.82 NPC1 (0.68) 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 6 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.