SCHEMBL653169

SCHEMBL653169

O=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 1.00
EPHX2 P34913 7/20 1.00
NPC1 O15118 2/20 1.00
KMT2A Q03164 1/20 1.00
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSD11B1 P28845 2/20 0.61
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL4113338 0.98 EPHX1 (0.96) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL19798754 0.90 EPHX2 (0.82) EPHX1EPHX2NPC1KMT2AHSD11B1
SCHEMBL3069167 0.84 EPHX2 (0.70) EPHX1EPHX2NPC1KMT2AHSD11B1
SCHEMBL15093798 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL24308701 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL23960132 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
1,3-Dicyclohexylurea SCHEMBL2755 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL24308699 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL12196125 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A
SCHEMBL12196101 0.79 EPHX1 (1.00) EPHX1EPHX2NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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
US-20120046251-A1 INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE TO INHIBIT OR PREVENT NIACIN-INDUCED FLUSHING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-23 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-20080188554-A1 METHODS OF TREATING AVIAN HYPERTENSION REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2008-08-07 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 (6 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 EPHX1 1923/4885EPHX2 1124/4885NPC1 2820/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX1 1923/4885EPHX2 1124/4885NPC1 2820/4885
US-20120046251-A1 INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE TO INHIBIT OR PREVENT NIACIN-INDUCED FLUSHING EPHX1, NCEH1, FAAH EPHX1 1/4885EPHX2 6/4885NPC1 450/4885
US-20080188554-A1 METHODS OF TREATING AVIAN HYPERTENSION EPHX1, ERH, EPHX2 EPHX1 1/4885EPHX2 3/4885NPC1 1861/4885
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.