SCHEMBL6866549

SCHEMBL6866549

Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCS2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 17/20 0.50
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
MAPK1 P28482 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
SCHEMBL6867153 0.92 RYR2 (0.54) RYR2ESR2NR1H2
SCHEMBL807127 0.88 ESR2 (0.65) RYR2ESR2NR1H2MAPK1
SCHEMBL28455483 0.86 ESR2 (0.51) RYR2ESR2NR1H2MAPK1
SCHEMBL6867132 0.85 RYR2 (0.70) RYR2
SCHEMBL8195959 0.85 RYR2 (0.45) RYR2
SCHEMBL6867374 0.83 RYR2 (0.47) RYR2ESR2NR1H2MAPK1
SCHEMBL6866554 0.83 RYR2 (0.51) RYR2ESR2NR1H2MAPK1
SCHEMBL6867701 0.83 RYR2 (0.55) RYR2ESR2
SCHEMBL807130 0.83 RYR2 (0.46) RYR2ESR2NR1H2MAPK1
SCHEMBL5848351 0.83 RYR2 (0.62) RYR2ESR2NR1H2MAPK1

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-20230386615-A1 BINDING SITE IN TYPE 1 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-30 US disclosed
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-16 US disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-07-03 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

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-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR2, RYR1, FKBP3 RYR2 1/4885ESR2 3709/4885NR1H2 941/4885
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR RYR2, RYR1, ATP2A2 RYR2 1/4885ESR2 770/4885NR1H2 913/4885
US-20110172190-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR1, RYR2, ATP2A1 RYR2 2/4885ESR2 1592/4885NR1H2 206/4885

“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.