SCHEMBL10184397

SCHEMBL10184397

O=C(NCCNC(=O)[C@H]1CC[C@H](Oc2ccccc2F)CC1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
DGAT1 O75907 9/20 0.46
AR P10275 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
SOAT1 P35610 1/20 0.40

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
SCHEMBL10185244 0.90 DGAT1 (0.50) DGAT1KMT2AALDH1A1SMN1; SMN2SOAT1
SCHEMBL10186130 0.90 DGAT1 (0.50) DGAT1KMT2AALDH1A1SMN1; SMN2SOAT1
SCHEMBL10184513 0.85 DGAT1 (0.49) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL10185072 0.85 DGAT1 (0.49) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL10186404 0.85 DGAT1 (0.53) DGAT1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL10184323 0.85 DGAT1 (0.56) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL664114 0.85 DGAT1 (0.56) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL664113 0.85 DGAT1 (0.56) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL10186408 0.85 ALDH1A1 (0.50) DGAT1HSD17B10RAB9AKMT2AOPRM1
SCHEMBL10186137 0.84 DGAT1 (0.52) DGAT1RAB9AKMT2AALDH1A1MEN1

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 LPAR1 1629/4885LPAR5 2217/4885DGAT1 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.