SCHEMBL10185393

SCHEMBL10185393

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1Cl)c1ccc(C2CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
USP5 P45974 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 5/20 0.39
SOAT1 P35610 3/20 0.39
DHODH Q02127 2/20 0.38
ACSL1 P33121 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL10185356 0.89 HRH3 (0.42) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186444 0.89 DGAT1 (0.45) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186182 0.89 PTGDR2 (0.44) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186184 0.87 ALDH1A1 (0.44) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186185 0.84 CCR3 (0.42) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL10186163 0.84 HRH3 (0.41) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10186216 0.83 PDE4A (0.48) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL10185228 0.83 HRH3 (0.40) HRH3DGAT1SOAT1CCR3
SCHEMBL10184913 0.82 CCR3 (0.46) HRH3NPC1RAB9ADGAT1SOAT1
SCHEMBL10185026 0.82 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2DGAT1

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 HRH3 2422/4885PDE4A 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.