SCHEMBL10185286

SCHEMBL10185286

O=C(NCCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.46
DGAT1 O75907 7/20 0.44
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
CLK1 P49759 3/20 0.41
ACSL1 P33121 1/20 0.41
EPHX2 P34913 3/20 0.40
FAAH O00519 2/20 0.40
MMP12 P39900 1/20 0.40
TEAD1 P28347 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL10184454 0.93 DGAT1 (0.44) UTS2RDGAT1CHRNA7ACSL1EPHX2
SCHEMBL10186237 0.90 FAAH (0.47) DGAT1CLK1EPHX2FAAHMMP12
SCHEMBL10185623 0.89 DGAT1 (0.51) UTS2RDGAT1CHRNA7HTR3ACLK1
SCHEMBL10185239 0.87 UTS2R (0.44) UTS2RDGAT1CHRNA7HTR3ACLK1
SCHEMBL10185328 0.87 CLK1 (0.56) UTS2RDGAT1CHRNA7HTR3ACLK1
SCHEMBL10186473 0.87 CLK1 (0.45) UTS2RDGAT1CHRNA7HTR3ACLK1
SCHEMBL10186464 0.86 DGAT1 (0.43) DGAT1CHRNA7HTR3ACLK1HDAC1
SCHEMBL10185195 0.86 DGAT1 (0.50) DGAT1CLK1HDAC1
SCHEMBL10186138 0.84 EPHX2 (0.53) DGAT1EPHX2FAAHTEAD1
SCHEMBL10185348 0.84 DGAT1 (0.49) UTS2RDGAT1CHRNA7HTR3AMMP12

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 2678/4885DGAT1 1/4885CHRNA7 4193/4885

“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.