SCHEMBL10185527

SCHEMBL10185527

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc2ccc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
DGAT1 O75907 6/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
SOAT1 P35610 2/20 0.39
CNR2 P34972 1/20 0.38
CHRM4 P08173 1/20 0.37
ATF4 P18848 3/20 0.37
ENPP2 Q13822 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL10186475 0.98 HRH3 (0.41) HRH3DGAT1PTGDR2SOAT1CNR2
SCHEMBL10184537 0.91 DGAT1 (0.46) HRH3DGAT1SOAT1HTR1A
SCHEMBL664101 0.91 DGAT1 (0.46) HRH3DGAT1SOAT1HTR1A
SCHEMBL664102 0.91 DGAT1 (0.46) HRH3DGAT1SOAT1HTR1A
SCHEMBL10185026 0.91 HRH3 (0.44) HRH3DGAT1PTGDR2SOAT1CNR2
SCHEMBL10186479 0.89 ACHE (0.45) HRH3DGAT1SOAT1
SCHEMBL10185015 0.89 HRH3 (0.42) HRH3DGAT1SOAT1
SCHEMBL10185010 0.89 DGAT1 (0.46) HRH3DGAT1PTGDR2SOAT1ENPP2
SCHEMBL10185199 0.89 DGAT1 (0.46) DGAT1PTGDR2SOAT1CNR2CHRM4
SCHEMBL10185482 0.89 DGAT1 (0.46) HRH3DGAT1PTGDR2HTR1A

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 HRH3 2422/4885DGAT1 1/4885PTGDR2 2134/4885

“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.