SCHEMBL10184352

SCHEMBL10184352

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
RAF1 P04049 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DGAT1 O75907 3/20 0.38
SOAT1 P35610 1/20 0.38
CCR3 P51677 3/20 0.38
HRH1 P35367 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NOTUM Q6P988 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL10185220 0.92 EPHX2 (0.43) EPHX2HRH3DGAT1SOAT1CHRM2
SCHEMBL10185227 0.91 EPHX2 (0.42) EPHX2RAF1DGAT1CCR3HRH1
SCHEMBL10184913 0.90 CCR3 (0.46) HRH3DGAT1SOAT1CCR3HRH1
SCHEMBL10186415 0.90 EPHX2 (0.47) EPHX2RAF1DGAT1NOTUMPTGDR2
SCHEMBL10186158 0.88 CHRM2 (0.41) EPHX2HRH3CHRM2CHRM5CHRM1
SCHEMBL10184402 0.88 HRH3 (0.45) HRH3DGAT1SOAT1CCR3CHRM1
SCHEMBL10185066 0.87 EPHX2 (0.43) EPHX2HRH3DGAT1SOAT1PTGDR2
SCHEMBL10184422 0.87 EPHX2 (0.42) EPHX2HRH3DGAT1SOAT1CHRM2
SCHEMBL10185228 0.87 HRH3 (0.40) HRH3DGAT1SOAT1CCR3PTGDR2
SCHEMBL10184982 0.86 SCN9A (0.42) EPHX2HRH3DGAT1SOAT1CCR3

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 EPHX2 1718/4885RAF1 4751/4885HRH3 2422/4885

“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.