SCHEMBL13873839

SCHEMBL13873839

O=C(NCc1cccc2ccccc12)N1CCC(c2cnccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.55
▸ EPHX2 P34913 3/20 0.55
▸ PRMT5 O14744 2/20 0.49
▸ WDR77 Q9BQA1 2/20 0.49
▸ CYP2J2 P51589 1/20 0.48
▸ DPP4 P27487 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ BCHE P06276 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL13873820 0.85 CYP2C9 (0.53) CYP2C9EPHX2PRMT5WDR77CYP2J2
SCHEMBL13873852 0.84 CYP2C9 (0.66) CYP2C9EPHX2CYP2J2DPP4KMT2A
SCHEMBL13873834 0.82 EPHX2 (0.58) CYP2C9EPHX2PRMT5WDR77CYP2J2
SCHEMBL13873658 0.81 EPHX2 (0.74) CYP2C9EPHX2PRMT5WDR77CYP2J2
SCHEMBL13873657 0.81 CYP2C9 (0.54) CYP2C9EPHX2PRMT5WDR77CYP2J2
SCHEMBL13873775 0.80 EPHX2 (0.55) CYP2C9EPHX2CYP2J2BCHEP2RX7
SCHEMBL13873416 0.78 EPHX2 (0.58) CYP2C9EPHX2CYP2J2
SCHEMBL13873782 0.78 MEN1 (0.51) CYP2C9EPHX2KMT2AMEN1
SCHEMBL13873661 0.78 EPHX2 (0.66) CYP2C9EPHX2PRMT5WDR77NAMPT
SCHEMBL13873840 0.77 EPHX2 (0.62) CYP2C9EPHX2CYP2J2NAMPTKMT2A

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 CYP2C9 477/4885EPHX2 2/4885PRMT5 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.

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