SCHEMBL6867950

SCHEMBL6867950

COc1ccc2c(c1)CN(CC(C)=O)CCS2

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 19/20 0.65

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
SCHEMBL3428843 0.90 RYR2 (0.67) RYR2
SCHEMBL806953 0.89 RYR2 (0.63) RYR2
SCHEMBL15705417 0.83 RYR2 (0.43) RYR2
SCHEMBL807117 0.81 RYR2 (0.79) RYR2
SCHEMBL6867447 0.81 RYR2 (0.83) RYR2
Surlorian SCHEMBL15326996 0.79 RYR2 (0.58) RYR2
Surlorian SCHEMBL29728244 0.79 RYR2 (0.58) RYR2
SCHEMBL13622141 0.79 RYR2 (0.55) RYR2
SCHEMBL12265307 0.79 RYR2 (0.88) RYR2
SCHEMBL806609 0.79 RYR2 (1.00) RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710045-B2 Agents for preventing and treating disorders involving modulation of the ryanodine receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-29 US disclosed
US-20110172190-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2011-07-14 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-20110172190-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR1, RYR2, ATP2A1 RYR2 2/4885

“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.