SCHEMBL10186158

SCHEMBL10186158

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SCN9A Q15858 6/20 0.41
DRD4 P21917 1/20 0.41
FAAH O00519 2/20 0.41
EPHX2 P34913 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TRPV1 Q8NER1 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ENPP2 Q13822 1/20 0.39
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL10184982 0.93 SCN9A (0.42) CHRM2CHRM5CHRM1CHRM3SCN9A
SCHEMBL10185107 0.92 SCN9A (0.45) CHRM2CHRM5CHRM1CHRM3SCN9A
SCHEMBL10184358 0.92 DRD4 (0.41) CHRM2CHRM1SCN9ADRD4FAAH
SCHEMBL13117515 0.90 EPHX2 (0.49) CHRM2CHRM1DRD4FAAHEPHX2
SCHEMBL10184921 0.89 MEN1 (0.43) PTGDR2HRH3
SCHEMBL10185131 0.89 FAAH (0.51) CHRM2CHRM5CHRM1CHRM3FAAH
SCHEMBL10184913 0.89 CCR3 (0.46) TRPV1HRH3
SCHEMBL10184352 0.88 EPHX2 (0.41) CHRM2CHRM5CHRM1CHRM3EPHX2
SCHEMBL13117766 0.88 DRD4 (0.44) SCN9ADRD4PTGDR2TRPV1ENPP2
SCHEMBL10184349 0.87 PDE4A (0.40) SCN9APTGDR2HRH3

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 CHRM2 2589/4885CHRM5 3681/4885CHRM1 2527/4885

“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.