SCHEMBL10186191

SCHEMBL10186191

O=C(NCCNC(=O)c1c(F)cc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DGAT1 O75907 10/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SOAT1 P35610 3/20 0.39
HRH3 Q9Y5N1 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HDAC3 O15379 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL10185422 0.89 DGAT1 (0.43) ALDH1A1SMN1; SMN2DGAT1SOAT1PTGDR2
SCHEMBL10186184 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2DGAT1PDE4APDE4B
SCHEMBL10186193 0.88 DGAT1 (0.42) DGAT1SOAT1TRPV1PTGDR2
SCHEMBL10185794 0.87 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HRH3NPC1
SCHEMBL663632 0.87 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HRH3NPC1
SCHEMBL663633 0.87 DGAT1 (0.48) ALDH1A1SMN1; SMN2DGAT1HRH3NPC1
SCHEMBL10184445 0.87 DGAT1 (0.44) DGAT1SOAT1HRH3RAB9A
SCHEMBL13117864 0.86 FAAH (0.52) DGAT1TRPV1
SCHEMBL10185785 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2DGAT1PDE4APDE4B
SCHEMBL660899 0.85 HDAC3 (0.45) DGAT1RAB9AHDAC3

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 ALDH1A1 963/4885SMN1; SMN2 4464/4885DGAT1 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.