SCHEMBL10186255

SCHEMBL10186255

O=C(NCCNC(=O)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 7/20 0.41
RXFP1 Q9HBX9 5/20 0.39
UTS2R Q9UKP6 3/20 0.39
F10 P00742 1/20 0.39
CHRNA7 P36544 3/20 0.38
SCN9A Q15858 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
SCHEMBL10185350 0.93 UTS2R (0.45) RXFP1UTS2RCHRNA7
SCHEMBL10185074 0.91 UTS2R (0.40) RXFP1UTS2RCHRNA7
SCHEMBL10185367 0.89 PRSS12 (0.41) PRSS12UTS2RF10CHRNA7
SCHEMBL10184499 0.89 RAB9A (0.44) RXFP1UTS2R
SCHEMBL10185104 0.88 PRSS12 (0.44) PRSS12UTS2RF10CHRNA7
SCHEMBL10186507 0.88 PRSS12 (0.46) PRSS12UTS2RF10CHRNA7SCN9A
SCHEMBL10185723 0.86 UTS2R (0.45) RXFP1UTS2RCHRNA7
SCHEMBL10184506 0.85 RXFP1 (0.42) RXFP1F10SCN9A
SCHEMBL10185744 0.84 PRSS12 (0.43) PRSS12UTS2RF10CHRNA7
SCHEMBL10185399 0.83 L3MBTL1 (0.49) RXFP1CHRNA7SCN9A

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 PRSS12 3098/4885RXFP1 3304/4885UTS2R 2678/4885

“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.