SCHEMBL10186236

SCHEMBL10186236

O=C(NCCNC(=O)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.47
ENPP2 Q13822 2/20 0.41
EPHX2 P34913 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SCN9A Q15858 1/20 0.38
CHRM4 P08173 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL10185616 0.90 FAAH (0.47) RXFP1EPHX2
SCHEMBL13117509 0.89 ENPP2 (0.47) RXFP1ENPP2EPHX2PTGDR2CHRM4
SCHEMBL10185571 0.88 RXFP1 (0.45) RXFP1PTGDR2SCN9ADGAT1
SCHEMBL10185066 0.86 EPHX2 (0.43) RXFP1EPHX2PTGDR2DGAT1
SCHEMBL10186490 0.86 ENPP2 (0.42) RXFP1ENPP2EPHX2PTGDR2CHRM4
SCHEMBL10186492 0.85 RXFP1 (0.44) RXFP1SCN9A
SCHEMBL10185386 0.85 RXFP1 (0.43) RXFP1CD274
SCHEMBL664096 0.85 RXFP1 (0.44) RXFP1ENPP2PPARGDGAT1
SCHEMBL10186305 0.85 RXFP1 (0.44) RXFP1ENPP2PPARGDGAT1
SCHEMBL664097 0.85 RXFP1 (0.44) RXFP1ENPP2PPARGDGAT1

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 RXFP1 3304/4885ENPP2 812/4885EPHX2 1718/4885

“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.