SCHEMBL10186137

SCHEMBL10186137

O=C(NCCNC(=O)C1CCCCC1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.52
HRH3 Q9Y5N1 5/20 0.49
EPHX2 P34913 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL10184403 0.90 DGAT1 (0.54) DGAT1HRH3EPHX2MEN1KMT2A
SCHEMBL10185244 0.90 DGAT1 (0.50) DGAT1HRH3EPHX2SMN1; SMN2KMT2A
SCHEMBL10186130 0.90 DGAT1 (0.50) DGAT1HRH3EPHX2SMN1; SMN2KMT2A
SCHEMBL10184513 0.88 DGAT1 (0.49) DGAT1HRH3NPC1RAB9AMEN1
SCHEMBL10186408 0.87 ALDH1A1 (0.50) DGAT1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL10185130 0.87 FAAH (0.46) DGAT1HRH3EPHX2
SCHEMBL10186380 0.87 MEN1 (0.48) HRH3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL664114 0.87 DGAT1 (0.56) DGAT1HRH3NPC1RAB9AMEN1
SCHEMBL664113 0.87 DGAT1 (0.56) DGAT1HRH3NPC1RAB9AMEN1
SCHEMBL10184323 0.87 DGAT1 (0.56) DGAT1HRH3NPC1RAB9AMEN1

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 2422/4885EPHX2 1718/4885

“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.