SCHEMBL10185448

SCHEMBL10185448

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(C2CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.43
▸ DGAT1 O75907 10/20 0.41
▸ SOAT1 P35610 4/20 0.41
▸ MMP12 P39900 2/20 0.39
▸ ACSL1 P33121 3/20 0.37
▸ ACSL3 O95573 1/20 0.36
▸ ACSL6 Q9UKU0 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
SCHEMBL10184505 0.90 HRH3 (0.43) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10186478 0.86 HRH3 (0.40) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10184394 0.85 HRH3 (0.41) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10185427 0.84 DGAT1 (0.49) HRH3DGAT1
SCHEMBL10186471 0.84 DGAT1 (0.48) HRH3DGAT1SOAT1
SCHEMBL10186184 0.83 ALDH1A1 (0.44) HRH3DGAT1SOAT1RXFP1
SCHEMBL10186189 0.83 HRH3 (0.42) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10185434 0.83 RAB9A (0.44) HRH3DGAT1
SCHEMBL10185735 0.83 L3MBTL1 (0.49) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10184525 0.83 DGAT1 (0.40) HRH3DGAT1SOAT1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US 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 2422/4885DGAT1 1/4885SOAT1 6/4885

“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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