SCHEMBL10185187

SCHEMBL10185187

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ACACB O00763 1/20 0.43
SSTR5 P35346 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM1 P11229 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL10185055 0.93 TP53 (0.46) DGAT1TP53KCNQ3KCNQ2CHRM1
SCHEMBL10184363 0.92 HRH3 (0.43) DGAT1NPC1RAB9ATP53KCNQ3
SCHEMBL10186414 0.91 MEN1 (0.50) DGAT1RAB9APDE4APDE4BPDE4C
SCHEMBL10184890 0.91 TP53 (0.51) DGAT1NPC1RAB9ATP53ACACB
SCHEMBL10186447 0.91 CHRM1 (0.41) DGAT1NPC1RAB9ATP53KCNQ3
SCHEMBL10185076 0.90 PDE4A (0.45) DGAT1ACACBPDE4APDE4BPDE4C
SCHEMBL10185210 0.89 DGAT1 (0.48) DGAT1NPC1RAB9APDE4APDE4B
SCHEMBL10184930 0.89 DGAT1 (0.43) DGAT1ACACBHRH3PDE4APDE4B
SCHEMBL10184875 0.88 POLB (0.48) DGAT1NPC1RAB9ATP53MAPT
SCHEMBL10185136 0.87 DGAT1 (0.51) DGAT1CHRM1HRH3

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 DGAT1 1/4885NPC1 201/4885RAB9A 1660/4885

“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.