SCHEMBL13873656

SCHEMBL13873656

COc1cccc(CCNC(=O)N2CCC(c3cnccn3)C2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.56
▸ EPHX2 P34913 3/20 0.56
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2J2 P51589 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PDCD1LG2 Q9BQ51 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL13873657 0.91 CYP2C9 (0.54) CYP2C9EPHX2CYP2J2NAMPTPRMT5
SCHEMBL13873639 0.87 APLNR (0.49) CYP2C9EPHX2MEN1KMT2ACYP2J2
SCHEMBL13873668 0.86 CYP2C9 (0.58) CYP2C9EPHX2CYP2J2NAMPTPRMT5
SCHEMBL13873577 0.82 EPHX2 (0.57) CYP2C9EPHX2MEN1KMT2ACYP2J2
SCHEMBL13873660 0.82 CYP2C9 (0.56) CYP2C9EPHX2MEN1KMT2ANAMPT
SCHEMBL13873832 0.81 CYP2C9 (0.58) CYP2C9EPHX2KMT2APRMT5WDR77
SCHEMBL13873596 0.80 SPR (0.44) CYP2C9NAMPTKDM4ETSHRALDH1A1
SCHEMBL13873661 0.79 EPHX2 (0.66) CYP2C9EPHX2MEN1KMT2ANAMPT
SCHEMBL13873662 0.78 EPHX2 (0.62) CYP2C9EPHX2NAMPTPRMT5WDR77
SCHEMBL13873666 0.78 EPHX2 (0.64) CYP2C9EPHX2CYP2J2NAMPTPRMT5

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 2/4885MEN1 4174/4885

“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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