SCHEMBL10184445

SCHEMBL10184445

CCc1ccc(C(=O)NCCNC(=O)c2c(F)cc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.44
HRH3 Q9Y5N1 4/20 0.39
SLC5A7 Q9GZV3 1/20 0.38
RAB9A P51151 1/20 0.38
SOAT1 P35610 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
GCGR P47871 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10185474 0.88 HRH3 (0.45) DGAT1HRH3SLC5A7SOAT1
SCHEMBL10185422 0.88 DGAT1 (0.43) DGAT1SOAT1
SCHEMBL10185149 0.87 DGAT1 (0.50) DGAT1HRH3RAB9APOLBCTDSP1
SCHEMBL13117864 0.87 FAAH (0.52) DGAT1FAAHEPHX2GCGR
SCHEMBL10186191 0.87 ALDH1A1 (0.46) DGAT1HRH3RAB9ASOAT1
SCHEMBL10186193 0.87 DGAT1 (0.42) DGAT1SOAT1FAAHEPHX2
SCHEMBL660899 0.84 HDAC3 (0.45) DGAT1RAB9A
SCHEMBL660900 0.84 HDAC3 (0.45) DGAT1RAB9A
SCHEMBL10185781 0.84 HDAC3 (0.45) DGAT1RAB9A
SCHEMBL10185148 0.83 CCR3 (0.41) DGAT1SOAT1

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 1/4885HRH3 2422/4885SLC5A7 333/4885

“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.