SCHEMBL13873845

SCHEMBL13873845

O=C(NCc1ccccn1)N1CCC(c2ccncc2)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SCD5 Q86SK9 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ STAT1 P42224 1/20 0.44

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
SCHEMBL13873673 0.89 CYP2C9 (0.54) EPHX2CYP2C9CYP2J2SMN1; SMN2NPC1
SCHEMBL13873816 0.88 PRMT5 (0.50) EPHX2CYP2C9CYP2J2SMN1; SMN2HPGD
SCHEMBL13873834 0.84 EPHX2 (0.58) EPHX2CYP2C9CYP2J2SMN1; SMN2HPGD
SCHEMBL9227496 0.79 PDE4B (0.76) PDE4B
SCHEMBL13873852 0.79 CYP2C9 (0.66) EPHX2CYP2C9CYP2J2SMN1; SMN2NPC1
SCHEMBL13873675 0.78 CYP2C9 (0.60) EPHX2CYP2C9CYP2J2SMN1; SMN2NPC1
SCHEMBL13160339 0.78 EPHX2 (0.54) EPHX2SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL13873671 0.78 CYP2C9 (0.57) EPHX2CYP2C9CYP2J2SMN1; SMN2NPC1
SCHEMBL13873643 0.78 PRMT5 (0.49) EPHX2CYP2C9CYP2J2SMN1; SMN2NPC1
SCHEMBL25227702 0.76 HPGD (0.47) EPHX2SMN1; SMN2HPGDRECQLTSHR

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.

Send feedback