SCHEMBL10186216

SCHEMBL10186216

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1ccc(C2CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
RXFP1 Q9HBX9 4/20 0.40
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
S1PR5 Q9H228 1/20 0.36
USP5 P45974 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 2/20 0.34
SCN9A Q15858 1/20 0.34
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL10185138 0.89 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10185230 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10185609 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10186444 0.85 DGAT1 (0.45) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10185393 0.83 HRH3 (0.42) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10185356 0.83 HRH3 (0.42) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10186226 0.83 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10185571 0.81 RXFP1 (0.45) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10186184 0.81 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10185645 0.80 CHRM4 (0.45) PDE4BUSP5HDAC6

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.