SCHEMBL10185104

SCHEMBL10185104

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 7/20 0.44
F10 P00742 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNA7 P36544 3/20 0.38
DGAT1 O75907 4/20 0.37
SOAT1 P35610 2/20 0.37
MMP12 P39900 1/20 0.37
CNR2 P34972 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL10186265 0.93 UTS2R (0.41) PRSS12HRH3CHRNA7DGAT1SOAT1
SCHEMBL10184525 0.91 DGAT1 (0.40) PRSS12HRH3CHRNA7DGAT1SOAT1
SCHEMBL10185744 0.90 PRSS12 (0.43) PRSS12F10CHRNA7DGAT1SOAT1
SCHEMBL10185434 0.89 RAB9A (0.44) HRH3DGAT1
SCHEMBL10186255 0.88 PRSS12 (0.41) PRSS12F10CHRNA7UTS2R
SCHEMBL10185367 0.87 PRSS12 (0.41) PRSS12F10CHRNA7UTS2R
SCHEMBL10186485 0.87 PRSS12 (0.51) PRSS12F10CHRNA7DGAT1
SCHEMBL662828 0.86 CLK1 (0.42) HRH3CHRNA7DGAT1SOAT1MMP12
SCHEMBL662829 0.86 CLK1 (0.42) HRH3CHRNA7DGAT1SOAT1MMP12
SCHEMBL10185144 0.86 CLK1 (0.42) HRH3CHRNA7DGAT1SOAT1MMP12

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 PRSS12 3098/4885F10 3477/4885HRH3 2422/4885

“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.