SCHEMBL10186182

SCHEMBL10186182

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1Cl)c1ccc(C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
HRH3 Q9Y5N1 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DGAT1 O75907 7/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CCR3 P51677 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL10186435 0.91 HRH3 (0.45) PTGDR2HRH3SMN1; SMN2ALDH1A1DGAT1
SCHEMBL10184366 0.89 PDE4A (0.41) PTGDR2HRH3SMN1; SMN2ALDH1A1DGAT1
SCHEMBL10184290 0.89 USP2 (0.43) PTGDR2HRH3SMN1; SMN2ALDH1A1CCR3
SCHEMBL10185387 0.89 CCR3 (0.43) PTGDR2HRH3SMN1; SMN2DGAT1CCR3
SCHEMBL10185393 0.89 HRH3 (0.42) HRH3SMN1; SMN2DGAT1PDE4APDE4B
SCHEMBL10185397 0.88 NPC1 (0.48) PTGDR2HRH3SMN1; SMN2ALDH1A1DGAT1
SCHEMBL10186184 0.88 ALDH1A1 (0.44) PTGDR2HRH3SMN1; SMN2ALDH1A1DGAT1
SCHEMBL10185151 0.88 CCR3 (0.50) HRH3SMN1; SMN2DGAT1CCR3MEN1
SCHEMBL663632 0.88 DGAT1 (0.48) HRH3SMN1; SMN2ALDH1A1DGAT1NPC1
SCHEMBL663633 0.88 DGAT1 (0.48) HRH3SMN1; SMN2ALDH1A1DGAT1NPC1

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 PTGDR2 2134/4885HRH3 2422/4885SMN1; 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.