SCHEMBL10186189

SCHEMBL10186189

Cc1cc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2F)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.42
▸ DGAT1 O75907 8/20 0.39
▸ SOAT1 P35610 3/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ACSL1 P33121 4/20 0.37
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL10184949 0.92 DGAT1 (0.39) HRH3DGAT1MMP12ACSL1
SCHEMBL10184394 0.91 HRH3 (0.41) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10186478 0.89 HRH3 (0.40) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10184505 0.87 HRH3 (0.43) HRH3DGAT1SOAT1MMP12ACSL1
SCHEMBL10184950 0.87 DGAT1 (0.46) HRH3DGAT1MMP12
SCHEMBL10186440 0.85 PTGDR2 (0.38) HRH3DGAT1MMP12ACSL1P2RX7
SCHEMBL10184402 0.85 HRH3 (0.45) HRH3DGAT1SOAT1RXFP1ACSL1
SCHEMBL10186159 0.85 HRH3 (0.43) HRH3DGAT1SOAT1RXFP1ACSL1
SCHEMBL10186265 0.83 UTS2R (0.41) HRH3DGAT1SOAT1MMP12
SCHEMBL10185104 0.83 PRSS12 (0.44) 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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