SCHEMBL6868429

SCHEMBL6868429

CNC(=O)N1CCSc2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 16/20 0.76
KCNH2 Q12809 1/20 0.44
NOTUM Q6P988 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL806938 0.87 RYR2 (1.00) RYR2KCNH2NOTUMKDM4E
SCHEMBL7560987 0.83 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL15936473 0.83 RYR2 (0.72) RYR2KDM4E
SCHEMBL13622149 0.82 RYR2 (0.71) RYR2KCNH2
SCHEMBL6867212 0.81 RYR2 (0.78) RYR2KCNH2NOTUM
SCHEMBL9635059 0.80 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL6867029 0.80 RYR2 (1.00) RYR2KCNH2NOTUMKDM4E
SCHEMBL6866477 0.80 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL6866625 0.80 RYR2 (1.00) RYR2
SCHEMBL7555363 0.79 RYR2 (0.69) RYR2KCNH2NOTUM

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 3 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-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 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 2/4885KCNH2 215/4885NOTUM 2599/4885

“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.