SCHEMBL6095376

SCHEMBL6095376

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(CC4CC4)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
HTR7 P34969 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
CYP19A1 P11511 2/20 0.39
PAX8 Q06710 1/20 0.38
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL6996965 0.91 SIGMAR1 (0.41) HRH3HTR7SIGMAR1HRH2HRH1
SCHEMBL2966844 0.90 KCNH2 (0.41) HRH3HTR7SIGMAR1HRH2HRH1
SCHEMBL5965863 0.87 SIGMAR1 (0.40) HRH3HTR7SIGMAR1CYP19A1KDM2B
SCHEMBL6095700 0.86 HRH3 (0.42) HRH3HTR7HRH2HRH1CYP19A1
SCHEMBL6095400 0.84 HTR7 (0.42) HRH3HTR7HRH2HRH1CYP19A1
SCHEMBL6093832 0.82 HRH2 (0.41) HRH3HTR7HRH2HRH1CYP19A1
SCHEMBL6095242 0.82 HRH3 (0.59) HRH3HTR7HRH2HRH1CYP19A1
SCHEMBL7248462 0.81 HRH3 (0.39) HRH3HTR7SIGMAR1HRH2HRH1
SCHEMBL7244738 0.81 HTR7 (0.41) HRH3HTR7HRH2HRH1CYP19A1
SCHEMBL6150667 0.80 SIGMAR1 (0.35) HRH3SIGMAR1HRH2HRH1CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 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 (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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E HRH3 3033/4885HTR7 2016/4885SIGMAR1 1091/4885

“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.