SCHEMBL10185102

SCHEMBL10185102

O=C(NCCNC(=O)c1cc2ccc(F)cc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.42
ENPP2 Q13822 2/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39
HDAC1 Q13547 1/20 0.39
DGAT1 O75907 3/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
SOAT1 P35610 1/20 0.37
MMP12 P39900 1/20 0.37
AR P10275 1/20 0.36
PRSS12 P56730 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
SCHEMBL10185381 0.93 UTS2R (0.47) UTS2RENPP2CHRNA7HTR3AHDAC1
SCHEMBL10186507 0.91 PRSS12 (0.46) UTS2RENPP2CHRNA7HDAC1PRSS12
SCHEMBL10185635 0.90 NAMPT (0.45) UTS2RHDAC1PDE4APDE4BPDE4C
SCHEMBL10185348 0.88 DGAT1 (0.49) UTS2RCHRNA7HTR3AHDAC1DGAT1
SCHEMBL10185074 0.88 UTS2R (0.40) UTS2RCHRNA7HTR3ADGAT1SOAT1
SCHEMBL10186271 0.87 UTS2R (0.42) UTS2RCHRNA7HTR3AHDAC1DGAT1
SCHEMBL10185719 0.86 UTS2R (0.46) UTS2RCHRNA7HTR3AHDAC1AR
SCHEMBL10186284 0.85 L3MBTL1 (0.49) ENPP2CHRNA7DGAT1PDE4APDE4B
SCHEMBL10185384 0.84 CHRNA7 (0.42) ENPP2CHRNA7HTR3ADGAT1PDE4A
SCHEMBL10184522 0.84 CHRNA7 (0.40) UTS2RCHRNA7HTR3AHDAC1DGAT1

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 2678/4885ENPP2 812/4885CHRNA7 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.