SCHEMBL13873596

SCHEMBL13873596

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.44
▸ FAAH O00519 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL13873677 0.95 FAAH (0.46) FAAHNAMPTALDH1A1KDM4ECHRM4
SCHEMBL13873598 0.91 SPR (0.45) SPRFAAHALDH1A1KDM4ECHRNB2
SCHEMBL13873624 0.86 SMN1; SMN2 (0.48) NAMPTALDH1A1CHRM4CYP2C9CYP2C19
SCHEMBL13873639 0.84 APLNR (0.49) SPRNAMPTALDH1A1KDM4ETP53
SCHEMBL13873599 0.84 HTT (0.58) SPRNAMPTALDH1A1MAPK1
SCHEMBL13873601 0.83 SPR (0.54) SPRFAAHNAMPTALDH1A1VNN1
SCHEMBL13873776 0.83 KMT2A (0.53) SPRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL13873600 0.81 SPR (0.52) SPRNAMPTALDH1A1VNN1CYP2C9
SCHEMBL13873631 0.81 KMT2A (0.51) SPRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL13873606 0.80 SPR (0.52) SPRFAAHNAMPTALDH1A1CHRNB2

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 11/4885NAMPT 1984/4885

“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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