SCHEMBL10185183

SCHEMBL10185183

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)cc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
DGAT1 O75907 7/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SSTR5 P35346 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
SCHEMBL10184976 0.92 DGAT1 (0.43) NPC1RAB9ATP53DGAT1MAPT
SCHEMBL10184890 0.90 TP53 (0.51) NPC1RAB9ATP53DGAT1MAPT
SCHEMBL10185174 0.88 DGAT1 (0.46) DGAT1HRH3ALDH1A1KDM4EL3MBTL1
SCHEMBL10185187 0.87 DGAT1 (0.46) NPC1RAB9ATP53DGAT1MAPT
SCHEMBL10184875 0.87 POLB (0.48) NPC1RAB9ATP53DGAT1MAPT
SCHEMBL13117553 0.87 FAAH (0.48) DGAT1PTGDR2
SCHEMBL10185018 0.85 RAB9A (0.59) NPC1RAB9ADGAT1MAPTSMN1; SMN2
SCHEMBL10185016 0.85 RAB9A (0.59) NPC1RAB9ADGAT1MAPTSMN1; SMN2
SCHEMBL10186459 0.85 PDE4A (0.47) RAB9ADGAT1HRH3PDE4APDE4B
SCHEMBL10184413 0.85 PTGDR2 (0.44) NPC1RAB9ATP53DGAT1MAPT

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 NPC1 201/4885RAB9A 1660/4885TP53 4061/4885

“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.