SCHEMBL664113

SCHEMBL664113

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@H](C(=O)O)CC2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.56
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 3/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HPGD P15428 1/20 0.48
PRSS1 P07477 1/20 0.48
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
CMA1 P23946 1/20 0.48

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
SCHEMBL664114 1.00 DGAT1 (0.56) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL10184323 1.00 DGAT1 (0.56) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL10184403 0.96 DGAT1 (0.54) DGAT1HSD17B10OPRM1OPRD1LMNA
SCHEMBL10185122 0.94 CA12 (0.56) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL10184898 0.91 DGAT1 (0.52) DGAT1HSD17B10LMNAHRH3
SCHEMBL10184513 0.91 DGAT1 (0.49) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL10186145 0.91 DGAT1 (0.49) DGAT1HSD17B10MEN1ALDH1A1KMT2A
SCHEMBL662997 0.91 DGAT1 (0.57) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL662996 0.91 DGAT1 (0.57) DGAT1HSD17B10RAB9AOPRM1OPRD1
SCHEMBL10185532 0.91 DGAT1 (0.57) DGAT1HSD17B10RAB9AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
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 1/4885HSD17B10 240/4885RAB9A 1660/4885

“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.