SCHEMBL13873598

SCHEMBL13873598

COc1cccc(CNC(=O)N2CCC(Cc3cccnc3)C2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ VNN1 O95497 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43

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
SCHEMBL13873596 0.91 SPR (0.44) SPRFAAHCYP2C9VNN1MAPK1
SCHEMBL13873677 0.86 FAAH (0.46) FAAHCYP2C9ALDH1A1KMT2ALMNA
SCHEMBL13873626 0.85 MEN1 (0.49) CYP2C9BCHEACHEBACE1KMT2A
SCHEMBL13873637 0.84 CYP2C9 (0.57) SPRCYP2C9EPHX2CYP2J2ROCK2
SCHEMBL13873597 0.82 EPHX2 (0.65) SPRFAAHCYP2C9EPHX2CYP2J2
SCHEMBL13873782 0.81 MEN1 (0.51) SPRCYP2C9EPHX2VNN1MAPK1
SCHEMBL13873669 0.79 CYP2C9 (0.68) CYP2C9EPHX2CYP2J2BCHEACHE
SCHEMBL13873657 0.79 CYP2C9 (0.54) CYP2C9EPHX2CYP2J2ROCK2ROCK1
SCHEMBL13874870 0.79 KMT2A (0.53) CYP2C9EPHX2CYP2J2VNN1ALDH1A1
SCHEMBL13873599 0.79 HTT (0.58) SPRMAPK1ALDH1A1KMT2ALMNA

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 SPR 61/4885FAAH 11/4885CYP2C9 477/4885

“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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