SCHEMBL13873455

SCHEMBL13873455

O=C(NCc1ccccc1-c1ccc(F)cc1)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.68
▸ CYP2C9 P11712 7/20 0.68
▸ CYP2J2 P51589 6/20 0.68
▸ CYP2C19 P33261 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44
▸ TUBA1C Q9BQE3 1/20 0.44
▸ TUBB6 Q9BUF5 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
SCHEMBL13873463 0.92 EPHX2 (0.67) EPHX2CYP2C9CYP2J2CYP2C19MEN1
SCHEMBL13873467 0.88 EPHX2 (0.64) EPHX2CYP2C9CYP2J2ALDH1A1TSHR
SCHEMBL13873468 0.86 EPHX2 (0.62) EPHX2CYP2C9CYP2J2CYP2C19ALDH1A1
SCHEMBL13873476 0.84 EPHX2 (0.76) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4113185 0.82 EPHX2 (0.76) EPHX2CYP2C9CYP2J2CYP2C19ALDH1A1
SCHEMBL13873469 0.82 EPHX2 (0.57) EPHX2CYP2C9CYP2J2CYP2C19ALDH1A1
SCHEMBL4106308 0.81 EPHX2 (0.79) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4111780 0.81 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873769 0.81 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4101880 0.81 EPHX2 (0.75) EPHX2CYP2C9CYP2J2CYP2C19ALDH1A1

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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