SCHEMBL927732

SCHEMBL927732

Cc1c(NC(=O)c2ccc(OCC3CC3)cc2F)ccc2cc(CNC3CCS(O)(O)CC3)cnc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.52
SCN9A Q15858 1/20 0.40

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
SCHEMBL927733 0.94 MCHR1 (0.52) MCHR1SCN9A
SCHEMBL927294 0.93 MCHR1 (0.54) MCHR1
SCHEMBL927671 0.90 MCHR1 (0.55) MCHR1
SCHEMBL929297 0.89 MCHR1 (0.52) MCHR1SCN9A
SCHEMBL927717 0.89 MCHR1 (0.52) MCHR1SCN9A
SCHEMBL927719 0.89 MCHR1 (0.52) MCHR1SCN9A
SCHEMBL928892 0.88 MCHR1 (0.67) MCHR1
SCHEMBL927295 0.87 MCHR1 (0.54) MCHR1
SCHEMBL927809 0.86 MCHR1 (0.60) MCHR1SCN9A
SCHEMBL927018 0.86 MCHR1 (0.60) MCHR1SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US claimed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP claimed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP 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-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 MCHR1 2/4885SCN9A 2653/4885

“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.