SCHEMBL10186199

SCHEMBL10186199

O=C(NCCNC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.46
EPHX2 P34913 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
FAAH O00519 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL10185482 0.98 DGAT1 (0.46) DGAT1EPHX2CYP2C9CYP2J2NPC1
SCHEMBL663535 0.91 DGAT1 (0.49) DGAT1EPHX2NPC1HRH3FAAH
SCHEMBL10186133 0.91 DGAT1 (0.49) DGAT1EPHX2NPC1HRH3FAAH
SCHEMBL663534 0.91 DGAT1 (0.49) DGAT1EPHX2NPC1HRH3FAAH
SCHEMBL10186131 0.89 NPC1 (0.49) DGAT1NPC1
SCHEMBL662997 0.89 DGAT1 (0.57) DGAT1
SCHEMBL662996 0.89 DGAT1 (0.57) DGAT1
SCHEMBL10185532 0.89 DGAT1 (0.57) DGAT1
SCHEMBL10186475 0.88 HRH3 (0.41) DGAT1EPHX2CYP2C9CYP2J2PTGDR2
SCHEMBL10184909 0.88 DGAT1 (0.47) DGAT1NPC1PTGDR2HRH3

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 1/4885EPHX2 1718/4885CYP2C9 3005/4885

“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.