SCHEMBL10185199

SCHEMBL10185199

O=C(NCCNC(=O)c1ccc(Cl)cc1F)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
SOAT1 P35610 2/20 0.42
CNR2 P34972 1/20 0.42
EPHX2 P34913 4/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPC1 O15118 1/20 0.41
CHRM4 P08173 1/20 0.40
FAAH O00519 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
SCHEMBL10185026 0.94 HRH3 (0.44) DGAT1PTGDR2SOAT1CNR2CHRM4
SCHEMBL10186471 0.92 DGAT1 (0.48) DGAT1SOAT1EPHX2FAAH
SCHEMBL10186475 0.91 HRH3 (0.41) DGAT1PTGDR2SOAT1CNR2EPHX2
SCHEMBL10186445 0.90 POLB (0.47) DGAT1PTGDR2EPHX2CYP2C9CYP2J2
SCHEMBL10185167 0.89 DGAT1 (0.43) DGAT1PTGDR2EPHX2CYP2C9CYP2J2
SCHEMBL10185527 0.89 HRH3 (0.40) DGAT1PTGDR2SOAT1CNR2CHRM4
SCHEMBL10185145 0.88 DGAT1 (0.46) DGAT1SOAT1EPHX2NPC1
SCHEMBL663535 0.87 DGAT1 (0.49) DGAT1EPHX2NPC1FAAH
SCHEMBL10186133 0.87 DGAT1 (0.49) DGAT1EPHX2NPC1FAAH
SCHEMBL663534 0.87 DGAT1 (0.49) DGAT1EPHX2NPC1FAAH

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 1/4885PTGDR2 2134/4885SOAT1 6/4885

“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.