SCHEMBL10186459

SCHEMBL10186459

COc1cc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)ccc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
DGAT1 O75907 7/20 0.44
EPHX2 P34913 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10184976 0.91 DGAT1 (0.43) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10185174 0.89 DGAT1 (0.46) DGAT1EPHX2HRH3MEN1KMT2A
SCHEMBL10185357 0.88 DGAT1 (0.43) DGAT1HRH3MEN1KMT2A
SCHEMBL10185419 0.87 FAAH (0.48) DGAT1EPHX2
SCHEMBL10186139 0.87 CCR3 (0.48) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10184897 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10184425 0.86 XDH (0.48) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10186432 0.86 DGAT1 (0.43) DGAT1EPHX2HRH3CCR3
SCHEMBL10185089 0.86 DGAT1 (0.47) DGAT1EPHX2HRH3
SCHEMBL10185183 0.85 NPC1 (0.43) PDE4APDE4BPDE4CPDE4DDGAT1

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 PDE4A 1520/4885PDE4B 1283/4885PDE4C 1933/4885

“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.