SCHEMBL13873657

SCHEMBL13873657

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.54
▸ EPHX2 P34913 3/20 0.54
▸ CYP2J2 P51589 2/20 0.51
▸ ROCK2 O75116 3/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDCD1LG2 Q9BQ51 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL13873656 0.91 CYP2C9 (0.56) CYP2C9EPHX2CYP2J2POLBKDM4E
SCHEMBL13873637 0.86 CYP2C9 (0.57) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13873669 0.86 CYP2C9 (0.68) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13873580 0.82 EPHX2 (0.54) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13873658 0.82 EPHX2 (0.74) CYP2C9EPHX2CYP2J2ROCK2PRMT5
SCHEMBL13873839 0.81 CYP2C9 (0.55) CYP2C9EPHX2CYP2J2KDM4EPRMT5
SCHEMBL13873598 0.79 SPR (0.45) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13873639 0.78 APLNR (0.49) CYP2C9EPHX2CYP2J2KDM4ETSHR
SCHEMBL13873564 0.77 EPHX2 (0.68) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13873834 0.77 EPHX2 (0.58) CYP2C9EPHX2CYP2J2TSHRPRMT5

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 2/4885CYP2J2 405/4885

“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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