SCHEMBL10185347

SCHEMBL10185347

COc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.44
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
KCNH2 Q12809 2/20 0.42
HRH1 P35367 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10186157 0.92 NPC1 (0.44) CCR3PTGDR2MEN1NPC1ALDH1A1
SCHEMBL10185364 0.91 CCR3 (0.44) CCR3KCNH2HRH1PTGDR2MEN1
SCHEMBL10185105 0.91 CCR3 (0.49) CCR3KCNH2HRH1PTGDR2NPC1
SCHEMBL10184318 0.91 PDE4A (0.47) CCR3TAS1R3TAS1R1PDE4APDE4B
SCHEMBL10186186 0.90 CCR3 (0.45) CCR3PDE4APDE4BPDE4CPDE4D
SCHEMBL10184358 0.90 DRD4 (0.41) CCR3EPHX2PTGDR2
SCHEMBL10186162 0.89 CCR3 (0.44) CCR3KCNH2HRH1PTGDR2ALDH1A1
SCHEMBL10186171 0.88 PDE4A (0.43) CCR3PDE4APDE4BPDE4CPDE4D
SCHEMBL10184386 0.87 CCR3 (0.42) CCR3PTGDR2MEN1NPC1RAB9A
SCHEMBL10186424 0.87 ALDH1A1 (0.46) EPHX2PTGDR2NPC1ALDH1A1

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 4296/4885TAS1R3 2245/4885TAS1R1 2149/4885

“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.