SCHEMBL10148306

SCHEMBL10148306

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.41
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ACACB O00763 1/20 0.36
FFAR4 Q5NUL3 3/20 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
SCHEMBL10148305 0.90 SCN9A (0.41) SCN9ARXFP1HTR2AHTR2CHTR2B
SCHEMBL10185065 0.84 SCN9A (0.41) SCN9ARXFP1HTR2AHTR2CHTR2B
SCHEMBL10148300 0.82 PDE4D (0.41) FFAR4
SCHEMBL10148296 0.82 HRH3 (0.45) SCN9AACACBFFAR4
SCHEMBL10148325 0.81 ACACB (0.38) ACACBFFAR4
SCHEMBL10148298 0.77 LMNA (0.51) FFAR4
SCHEMBL10148283 0.77 ALDH1A1 (0.43) SCN9ARXFP1
SCHEMBL10148350 0.77 ALDH1A1 (0.43) SCN9ARXFP1
SCHEMBL10148299 0.75 HRH3 (0.45) SCN9AACACBFFAR4
SCHEMBL10148321 0.74 FFAR4 (0.37) ACACBFFAR4

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 SCN9A 3832/4885RXFP1 3304/4885HTR2A 1254/4885

“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.