SCHEMBL10185010

SCHEMBL10185010

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc2cc(F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.46
HRH3 Q9Y5N1 4/20 0.43
SOAT1 P35610 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PLD2 O14939 2/20 0.40
PLD1 Q13393 2/20 0.40
ENPP2 Q13822 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL10184537 0.92 DGAT1 (0.46) DGAT1HRH3SOAT1
SCHEMBL664101 0.92 DGAT1 (0.46) DGAT1HRH3SOAT1
SCHEMBL664102 0.92 DGAT1 (0.46) DGAT1HRH3SOAT1
SCHEMBL10186475 0.91 HRH3 (0.41) DGAT1HRH3SOAT1ENPP2PTGDR2
SCHEMBL10185426 0.91 ACHE (0.46) DGAT1HRH3SOAT1RXFP1
SCHEMBL10186471 0.90 DGAT1 (0.48) DGAT1HRH3SOAT1L3MBTL1
SCHEMBL10186201 0.90 DGAT1 (0.55) DGAT1HRH3SOAT1PLD2PLD1
SCHEMBL10186211 0.90 HRH3 (0.43) DGAT1HRH3SOAT1
SCHEMBL10186202 0.89 DGAT1 (0.45) DGAT1HRH3SOAT1PTGDR2
SCHEMBL10185015 0.89 HRH3 (0.42) DGAT1HRH3SOAT1RXFP1

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 2422/4885SOAT1 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.