SCHEMBL10148305

SCHEMBL10148305

COC(=O)C[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)O)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.41
RXFP1 Q9HBX9 3/20 0.39
FFAR4 Q5NUL3 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35

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
SCHEMBL10148306 0.90 SCN9A (0.41) SCN9ARXFP1FFAR4HTR2AHTR2C
SCHEMBL10185065 0.84 SCN9A (0.41) SCN9ARXFP1HTR2AHTR2CHTR2B
SCHEMBL10148298 0.82 LMNA (0.51) FFAR4
SCHEMBL10148299 0.82 HRH3 (0.45) SCN9AFFAR4
SCHEMBL10148321 0.81 FFAR4 (0.37) FFAR4FABP4FABP5
SCHEMBL24515566 0.80 RXFP1 (0.41) RXFP1FFAR4
SCHEMBL10148300 0.77 PDE4D (0.41) FFAR4
SCHEMBL661513 0.77 ALDH1A1 (0.43) SCN9ARXFP1
SCHEMBL661512 0.77 ALDH1A1 (0.43) SCN9ARXFP1
SCHEMBL10148349 0.77 ALDH1A1 (0.43) SCN9ARXFP1

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 3 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
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 SCN9A 3832/4885RXFP1 3304/4885FFAR4 1053/4885

“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.