SCHEMBL10185228

SCHEMBL10185228

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(C2CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
CCR3 P51677 1/20 0.40
DGAT1 O75907 5/20 0.39
SOAT1 P35610 2/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.38
SCN9A Q15858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL10186433 0.92 HRH3 (0.42) HRH3DGAT1SOAT1RXFP1
SCHEMBL10185387 0.92 CCR3 (0.43) HRH3CCR3DGAT1PTGDR2
SCHEMBL10184913 0.91 CCR3 (0.46) HRH3CCR3DGAT1SOAT1
SCHEMBL10184386 0.90 CCR3 (0.42) HRH3CCR3PTGDR2
SCHEMBL10186185 0.89 CCR3 (0.42) HRH3CCR3DGAT1SOAT1PTGDR2
SCHEMBL10186432 0.89 DGAT1 (0.43) HRH3CCR3DGAT1PTGDR2
SCHEMBL10184402 0.88 HRH3 (0.45) HRH3CCR3DGAT1SOAT1SCN9A
SCHEMBL10184422 0.88 EPHX2 (0.42) HRH3DGAT1SOAT1RXFP1
SCHEMBL10185026 0.87 HRH3 (0.44) HRH3DGAT1SOAT1PTGDR2
SCHEMBL10184352 0.87 EPHX2 (0.41) HRH3CCR3DGAT1SOAT1PTGDR2

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 HRH3 2422/4885CCR3 4296/4885DGAT1 1/4885

“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.