SCHEMBL10186508

SCHEMBL10186508

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1cc2cc(F)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.48
CHRNA7 P36544 4/20 0.41
CLK1 P49759 4/20 0.40
CLK2 P49760 1/20 0.40
HTR3A P46098 2/20 0.40
DGAT1 O75907 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
SCHEMBL10186271 0.93 UTS2R (0.42) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL10184512 0.91 UTS2R (0.47) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL10185037 0.90 NAMPT (0.46) UTS2R
SCHEMBL10185723 0.89 UTS2R (0.45) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL10185381 0.87 UTS2R (0.47) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL662828 0.87 CLK1 (0.42) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL662829 0.87 CLK1 (0.42) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL10185144 0.87 CLK1 (0.42) UTS2RCHRNA7CLK1CLK2HTR3A
SCHEMBL10185367 0.86 PRSS12 (0.41) UTS2RCHRNA7
SCHEMBL10185769 0.84 L3MBTL1 (0.49) UTS2RCHRNA7DGAT1

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 4193/4885CLK1 2402/4885

“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.