SCHEMBL10185616

SCHEMBL10185616

O=C(NCCNC(=O)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
EPHX2 P34913 4/20 0.47
TRPV1 Q8NER1 8/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MMP12 P39900 4/20 0.43
GCGR P47871 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 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
SCHEMBL10186236 0.90 RXFP1 (0.47) EPHX2RXFP1
SCHEMBL13117503 0.90 FAAH (0.49) FAAHEPHX2TRPV1MMP12GCGR
SCHEMBL10185131 0.89 FAAH (0.51) FAAHEPHX2TRPV1MMP12GCGR
SCHEMBL10185022 0.87 FAAH (0.49) FAAHEPHX2TRPV1MMP12GCGR
SCHEMBL10185571 0.86 RXFP1 (0.45) RXFP1
SCHEMBL10185045 0.85 EPHX2 (0.61) FAAHEPHX2TRPV1MMP12GCGR
SCHEMBL10186305 0.84 RXFP1 (0.44) RXFP1
SCHEMBL664096 0.84 RXFP1 (0.44) RXFP1
SCHEMBL664097 0.84 RXFP1 (0.44) RXFP1
SCHEMBL13117502 0.84 FAAH (0.49) FAAHEPHX2TRPV1MMP12GCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 FAAH 1026/4885EPHX2 1718/4885TRPV1 3124/4885

“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.