SCHEMBL6868322

SCHEMBL6868322

COc1ccc2c(c1)CN(Cc1ccc(C)cc1)CCS2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 18/20 0.60
KCNH2 Q12809 1/20 0.52
ATP2A2 P16615 1/20 0.50

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
SCHEMBL6867909 0.89 RYR2 (0.57) RYR2KCNH2ATP2A2
SCHEMBL6867282 0.89 RYR2 (0.60) RYR2KCNH2
SCHEMBL15327766 0.86 RYR2 (0.54) RYR2KCNH2ATP2A2
SCHEMBL15342814 0.86 RYR2 (0.54) RYR2KCNH2ATP2A2
Surlorian SCHEMBL29728244 0.85 RYR2 (0.58) RYR2KCNH2
SCHEMBL15342811 0.85 RYR2 (0.53) RYR2KCNH2ATP2A2
Surlorian SCHEMBL15326996 0.85 RYR2 (0.58) RYR2KCNH2
SCHEMBL15327056 0.84 RYR2 (0.56) RYR2KCNH2
SCHEMBL15342810 0.83 RYR2 (0.55) RYR2KCNH2
SCHEMBL15935987 0.81 SIGMAR1 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302013-A1 METHOD OF TREATING VIRAL-INDUCED COGNITIVE DYSFUNCTION BY TARGETING LEAKY RyR2 CHANNELS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-09-28 US disclosed
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
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US disclosed
WO-2008021432-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CONDITIONS AFFECTING THE NERVOUS SYSTEM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO disclosed
WO-2008021439-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIAC HYPERTROPHY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO 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 (3 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-20230302013-A1 METHOD OF TREATING VIRAL-INDUCED COGNITIVE DYSFUNCTION BY TARGETING LEAKY RyR2 CHANNELS RYR2, RYR1, CACNB1 RYR2 1/4885KCNH2 293/4885ATP2A2 7/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 RYR2 275/4885KCNH2 19/4885ATP2A2 2587/4885
US-20110172190-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR1, RYR2, ATP2A1 RYR2 2/4885KCNH2 215/4885ATP2A2 6/4885

“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.