SCHEMBL928429

SCHEMBL928429

Cc1c(NC(=O)c2ccc(OCC3CC3)cc2F)ccc2cc(C=O)cnc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.53
SCN9A Q15858 2/20 0.46
PARP10 Q53GL7 2/20 0.45
PARP15 Q460N3 1/20 0.45

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
SCHEMBL927216 0.91 MCHR1 (0.55) MCHR1SCN9A
SCHEMBL567528 0.88 SMN1; SMN2 (0.48) MCHR1
SCHEMBL927018 0.88 MCHR1 (0.60) MCHR1SCN9APARP10PARP15
SCHEMBL927809 0.88 MCHR1 (0.60) MCHR1SCN9A
SCHEMBL12905054 0.87 MCHR1 (0.59) MCHR1SCN9A
SCHEMBL927883 0.86 MCHR1 (0.69) MCHR1
Hydrochloric Acid SCHEMBL928394 0.86 MCHR1 (0.58) MCHR1SCN9A
SCHEMBL13674018 0.84 MCHR1 (0.58) MCHR1
SCHEMBL13674070 0.83 MCHR1 (0.44) MCHR1
SCHEMBL927671 0.81 MCHR1 (0.55) MCHR1

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 disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
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 2653/4885PARP10 4541/4885

“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.