SCHEMBL6866566

SCHEMBL6866566

CC(C)(C)OC(=O)N1CCSc2cc([N+](=O)[O-])c(O)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.39
RYR2 Q92736 12/20 0.38
HDAC1 Q13547 1/20 0.36
KCNH2 Q12809 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL8210074 0.89 RYR2 (0.35) ESR2MAPTRYR2
SCHEMBL12265292 0.85 RYR2 (0.39) ALDH1A1MAPTRYR2
SCHEMBL6867859 0.83 ESR2 (0.47) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL13622125 0.83 ESR2 (0.47) ESR2NR1H2MAPK1RYR2
SCHEMBL6867410 0.83 NR1H2 (0.49) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL6867068 0.82 ESR2 (0.46) ESR2NR1H2LMNAMAPK1RYR2
SCHEMBL28380071 0.81 ESR2 (0.60) ESR2NR1H2ALDH1A1LMNAMAPT
SCHEMBL30875704 0.81 ESR2 (0.60) ESR2NR1H2ALDH1A1LMNAMAPT
SCHEMBL30184058 0.81 ESR2 (0.60) ESR2NR1H2ALDH1A1LMNAMAPT
SCHEMBL10074436 0.80 ESR2 (0.45) ESR2NR1H2MAPK1RYR2HDAC1

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 27 patents — showing the first 20. 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
WO-2023070091-A1 A METHOD OF TREATING ESSENTIAL TREMOR BY TARGETING LEAKY RyR1 CHANNELS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-04-27 WO 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-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-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
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
US-7704990-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) 2010-04-27 US disclosed
US-7704990-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) 2010-04-27 US disclosed
EP-2177224-A2 Agents for preventing and treating disorders involving modulation of the RyR receptors The Trustees of Columbia University in the City of New York (US) 2010-04-21 EP 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-2008060332-A9 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE TRUSTESS OF COLUMBIA UNIVERSIT (US) 2008-07-10 WO disclosed
WO-2008060332-A2 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-22 WO 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
US-20070173482-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) 2007-07-26 US disclosed
WO-2007024717-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 WO disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 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 (5 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-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors RYR1, RYR2, ATP2A1 ESR2 1935/4885NR1H2 262/4885ALDH1A1 1414/4885
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 ESR2 2057/4885NR1H2 1712/4885ALDH1A1 1194/4885
US-20140187536-A1 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS RYR2, RYR1, FKBP3 ESR2 3709/4885NR1H2 941/4885ALDH1A1 4462/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 ESR2 2678/4885NR1H2 900/4885ALDH1A1 886/4885
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR RYR2, RYR1, ATP2A2 ESR2 770/4885NR1H2 913/4885ALDH1A1 4454/4885

“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.