SCHEMBL6867871

SCHEMBL6867871

COC(=O)CN1CCSc2ccc(C)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 17/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL15943519 0.88 RYR2 (0.46) RYR2
SCHEMBL806953 0.86 RYR2 (0.63) RYR2
SCHEMBL6866663 0.86 RYR2 (0.46) RYR2
SCHEMBL15705417 0.86 RYR2 (0.43) RYR2
SCHEMBL12894395 0.85 RYR2 (0.45) RYR2
SCHEMBL6867950 0.75 RYR2 (0.65) RYR2
SCHEMBL3428843 0.75 RYR2 (0.67) RYR2
SCHEMBL26344276 0.73 RYR2 (0.53) RYR2
SCHEMBL26344322 0.73 RYR2 (0.58) RYR2
SCHEMBL9635185 0.73 RYR2 (0.49) 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 7 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-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-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US 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-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 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 (4 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-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, GABRA4 RYR2 564/4885ALDH1A1 55/4885KDM4E 135/4885
US-20230302013-A1 METHOD OF TREATING VIRAL-INDUCED COGNITIVE DYSFUNCTION BY TARGETING LEAKY RyR2 CHANNELS RYR2, RYR1, CACNB1 RYR2 1/4885ALDH1A1 4722/4885KDM4E 1496/4885
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR2, RYR1, FKBP3 RYR2 1/4885ALDH1A1 4462/4885KDM4E 1686/4885
US-20110172190-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR1, RYR2, ATP2A1 RYR2 2/4885ALDH1A1 1225/4885KDM4E 3609/4885

“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.