SCHEMBL13873364

SCHEMBL13873364

O=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 1.00
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2J2 P51589 2/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KDM4E B2RXH2 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HSD17B10 Q99714 2/20 0.59
▸ TSHR P16473 2/20 0.58
▸ HPGD P15428 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL13873426 0.80 EPHX2 (0.72) EPHX2CYP2C9CYP2J2CYP2C19TSHR
SCHEMBL4114282 0.80 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873362 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19TSHR
SCHEMBL14892392 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19TSHR
SCHEMBL13873747 0.79 EPHX2 (0.80) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13874784 0.78 EPHX2 (0.73) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4109820 0.77 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4105816 0.76 EPHX2 (0.88) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14414043 0.76 KDM4E (0.81) EPHX2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL13873349 0.76 EPHX2 (0.65) EPHX2CYP2C9CYP2J2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (1 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2J2 405/4885

“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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