SCHEMBL10185384

SCHEMBL10185384

O=C(NCCNC(=O)c1cc2cccc(F)c2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.42
HTR3A P46098 2/20 0.41
PDE4D Q08499 6/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
AR P10275 2/20 0.38
ENPP2 Q13822 1/20 0.38
DGAT1 O75907 2/20 0.37
SOAT1 P35610 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
MMP12 P39900 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL10186474 0.89 DGAT1 (0.47) CHRNA7HTR3ADGAT1SOAT1MMP12
SCHEMBL10185635 0.89 NAMPT (0.45) PDE4DPDE4APDE4BPDE4CAR
SCHEMBL10186513 0.88 CHRNA7 (0.42) CHRNA7HTR3AENPP2DGAT1SOAT1
SCHEMBL10185108 0.88 CHRNA7 (0.42) CHRNA7HTR3AENPP2DGAT1SOAT1
SCHEMBL10186284 0.87 L3MBTL1 (0.49) CHRNA7PDE4DPDE4APDE4BPDE4C
SCHEMBL10185381 0.84 UTS2R (0.47) CHRNA7HTR3APDE4DPDE4APDE4B
SCHEMBL10185102 0.84 UTS2R (0.42) CHRNA7HTR3APDE4DPDE4APDE4B
SCHEMBL10185749 0.84 CHRNA7 (0.43) CHRNA7HTR3ADGAT1SOAT1MMP12
SCHEMBL10185514 0.83 HDAC3 (0.46) PDE4DPDE4APDE4BPDE4CAR
SCHEMBL10185719 0.83 UTS2R (0.46) CHRNA7HTR3AARSCN9A

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 CHRNA7 4193/4885HTR3A 2690/4885PDE4D 2536/4885

“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.