SCHEMBL10186271

SCHEMBL10186271

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1cc2ccc(F)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.42
CHRNA7 P36544 2/20 0.40
HTR3A P46098 2/20 0.40
DGAT1 O75907 1/20 0.35
NAMPT P43490 1/20 0.35
MMP12 P39900 2/20 0.35
CLK1 P49759 2/20 0.35
CLK2 P49760 1/20 0.35
HDAC1 Q13547 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL10186508 0.93 UTS2R (0.48) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10185367 0.91 PRSS12 (0.41) UTS2RCHRNA7SLC6A2SLC6A4
SCHEMBL10185037 0.90 NAMPT (0.46) UTS2RNAMPTHDAC1SLC6A2SLC6A4
SCHEMBL10185074 0.89 UTS2R (0.40) UTS2RCHRNA7HTR3ADGAT1MMP12
SCHEMBL10185102 0.87 UTS2R (0.42) UTS2RCHRNA7HTR3ADGAT1MMP12
SCHEMBL10184525 0.87 DGAT1 (0.40) UTS2RCHRNA7HTR3ADGAT1MMP12
SCHEMBL10184512 0.86 UTS2R (0.47) UTS2RCHRNA7HTR3ACLK1CLK2
SCHEMBL10185769 0.84 L3MBTL1 (0.49) UTS2RCHRNA7DGAT1MMP12HDAC1
SCHEMBL10185348 0.84 DGAT1 (0.49) UTS2RCHRNA7HTR3ADGAT1MMP12
SCHEMBL10185108 0.83 CHRNA7 (0.42) UTS2RCHRNA7HTR3ADGAT1MMP12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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 UTS2R 2678/4885CHRNA7 4193/4885HTR3A 2690/4885

“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.