SCHEMBL13873661

SCHEMBL13873661

O=C(NCCc1ccccc1)N1CCC(c2cnccn2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ PRMT5 O14744 2/20 0.51
▸ WDR77 Q9BQA1 2/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ PSMB5 P28074 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALDH1A1 P00352 2/20 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
SCHEMBL13873838 0.94 EPHX2 (0.62) EPHX2CYP2C9PRMT5WDR77HRH3
SCHEMBL13873662 0.93 EPHX2 (0.62) EPHX2CYP2C9PRMT5WDR77NAMPT
SCHEMBL13873666 0.93 EPHX2 (0.64) EPHX2CYP2C9PRMT5WDR77NAMPT
SCHEMBL13873664 0.88 CYP2C9 (0.61) EPHX2CYP2C9PRMT5WDR77NAMPT
SCHEMBL13873832 0.87 CYP2C9 (0.58) EPHX2CYP2C9PRMT5WDR77KDM4E
SCHEMBL13873665 0.85 EPHX2 (0.54) EPHX2CYP2C9PRMT5WDR77NAMPT
SCHEMBL13873660 0.83 CYP2C9 (0.56) EPHX2CYP2C9NAMPTKDM4EEPHX1
SCHEMBL13873671 0.82 CYP2C9 (0.57) EPHX2CYP2C9PRMT5WDR77HRH3
SCHEMBL13873834 0.81 EPHX2 (0.58) EPHX2CYP2C9PRMT5WDR77MEN1
SCHEMBL13873835 0.81 EPHX2 (0.63) EPHX2CYP2C9PRMT5WDR77NAMPT

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 477/4885PRMT5 2065/4885

“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