SCHEMBL13873660

SCHEMBL13873660

COc1ccc(CCNC(=O)N2CCC(c3cnccn3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPK1 P28482 2/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13873832 0.88 CYP2C9 (0.58) CYP2C9EPHX2ALDH1A1KMT2AHTT
SCHEMBL13873670 0.86 LMNA (0.55) CYP2C9EPHX2ALDH1A1MAPK1KMT2A
SCHEMBL13873640 0.85 MAPK1 (0.56) ALDH1A1MAPK1KMT2AHTTMEN1
SCHEMBL13873666 0.83 EPHX2 (0.64) CYP2C9EPHX2NAMPTMAPTKDM4E
SCHEMBL13873661 0.83 EPHX2 (0.66) CYP2C9EPHX2ALDH1A1KMT2AMEN1
SCHEMBL13873656 0.82 CYP2C9 (0.56) CYP2C9EPHX2ALDH1A1KMT2AMEN1
SCHEMBL13873665 0.82 EPHX2 (0.54) CYP2C9EPHX2ALDH1A1KMT2ANAMPT
SCHEMBL13873584 0.82 EPHX2 (0.56) CYP2C9EPHX2ALDH1A1MAPK1KMT2A
SCHEMBL13873662 0.82 EPHX2 (0.62) CYP2C9EPHX2ALDH1A1EPHX1NAMPT
SCHEMBL13873838 0.81 EPHX2 (0.62) CYP2C9EPHX2EPHX1NAMPTKDM4E

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 2/4885ALDH1A1 385/4885

“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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