SCHEMBL4105243

SCHEMBL4105243

O=C(O)N1CCC(Nc2ncccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ CCNK O75909 10/20 0.43
▸ CDK12 Q9NYV4 10/20 0.43
▸ NOS2 P35228 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ KDM5A P29375 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL27756054 0.90 KDM4E (0.53) EPHX2KDM4EGAAMAPK1NOS2
SCHEMBL28214824 0.87 GAA (0.47) EPHX2KDM4EGAAMAPK1DRD2
SCHEMBL28551450 0.84 CDK12 (0.57) CCNKCDK12
SCHEMBL28552948 0.84 CCNK (0.60) CCNKCDK12
SCHEMBL28551451 0.84 CDK12 (0.57) CCNKCDK12
SCHEMBL28557319 0.84 CDK12 (0.57) MAPK1CCNKCDK12
SCHEMBL28557316 0.84 CDK12 (0.57) MAPK1CCNKCDK12
SCHEMBL28543261 0.84 CCNK (0.60) CCNKCDK12
SCHEMBL28543260 0.84 CCNK (0.60) CCNKCDK12
SCHEMBL28171097 0.82 KDM4E (0.55) EPHX2KDM4EGAAMAPK1NOS2

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
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 — — EP 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 2/4885KDM4E 2114/4885GAA 735/4885

“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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