SCHEMBL10185145

SCHEMBL10185145

COc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.46
HRH3 Q9Y5N1 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EPHX2 P34913 1/20 0.43
ADRB2 P07550 1/20 0.43
SOAT1 P35610 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.41
CPS1 P31327 1/20 0.41

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
SCHEMBL10186471 0.94 DGAT1 (0.48) DGAT1HRH3EPHX2SOAT1
SCHEMBL10185426 0.92 ACHE (0.46) DGAT1HRH3RXFP1EPHX2SOAT1
SCHEMBL10186479 0.91 ACHE (0.45) DGAT1HRH3RXFP1EPHX2SOAT1
SCHEMBL10184390 0.89 NPC1 (0.48) DGAT1HRH3SOAT1SMN1; SMN2HPGD
SCHEMBL10185474 0.88 HRH3 (0.45) DGAT1HRH3RXFP1SOAT1
SCHEMBL10185199 0.88 DGAT1 (0.46) DGAT1EPHX2SOAT1NPC1
SCHEMBL10185026 0.88 HRH3 (0.44) DGAT1HRH3SOAT1SMN1; SMN2ALDH1A1
SCHEMBL10184385 0.87 EPHX2 (0.51) DGAT1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL10185533 0.87 MMP13 (0.47) DGAT1HRH3SOAT1SMN1; SMN2NPC1
SCHEMBL10185047 0.87 NPC1 (0.55) DGAT1HRH3SMN1; SMN2HPGDNPC1

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 DGAT1 1/4885HRH3 2422/4885RXFP1 3304/4885

“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.