SCHEMBL10186186

SCHEMBL10186186

COc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2Cl)cc1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
PDE4A P27815 11/20 0.45
PDE4B Q07343 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL10186457 0.91 CCR3 (0.46) CCR3HRH1KCNH2HRH3
SCHEMBL10185347 0.90 CCR3 (0.44) CCR3PDE4APDE4BPDE4CPDE4D
SCHEMBL10185373 0.89 CCR3 (0.46) CCR3HRH1KCNH2HRH3
SCHEMBL10184897 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL10185186 0.88 CCR3 (0.43) CCR3HRH1KCNH2HRH3
SCHEMBL10184941 0.86 MEN1 (0.45) CCR3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186162 0.86 CCR3 (0.44) CCR3HRH1KCNH2HRH3PTGDR2
SCHEMBL10185151 0.86 CCR3 (0.50) CCR3HRH1KCNH2HRH3
SCHEMBL10186435 0.85 HRH3 (0.45) CCR3EPHX2HRH3PTGDR2
SCHEMBL10184935 0.84 TAS1R3 (0.44) PDE4APDE4BPDE4CPDE4D

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 CCR3 4296/4885PDE4A 1520/4885PDE4B 1283/4885

“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.