SCHEMBL663632

SCHEMBL663632

O=C(NCCNC(=O)c1ccc(C2CC2)cc1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10185794 1.00 DGAT1 (0.48) DGAT1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL663633 1.00 DGAT1 (0.48) DGAT1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL10184403 0.92 DGAT1 (0.54) DGAT1ALDH1A1HRH3L3MBTL1HSD17B10
SCHEMBL698111 0.92 DGAT1 (0.45) DGAT1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL10186408 0.91 ALDH1A1 (0.50) DGAT1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL10184962 0.91 DGAT1 (0.46) DGAT1ALDH1A1SMN1; SMN2HRH3L3MBTL1
SCHEMBL10185436 0.89 DGAT1 (0.46) DGAT1ALDH1A1SMN1; SMN2HRH3L3MBTL1
SCHEMBL10185023 0.89 DGAT1 (0.46) DGAT1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL664114 0.89 DGAT1 (0.56) DGAT1ALDH1A1HRH3NPC1RAB9A
SCHEMBL10184323 0.89 DGAT1 (0.56) DGAT1ALDH1A1HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP claimed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US claimed
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 1/4885ALDH1A1 963/4885SMN1; SMN2 4464/4885

“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.