SCHEMBL6094059

SCHEMBL6094059

COCCOCCN1CC2CN(CCCS(=O)(=O)c3ccc(C#N)cc3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.42
HRH1 P35367 10/20 0.42
HRH3 Q9Y5N1 10/20 0.42
HTR7 P34969 1/20 0.40
KCNH2 Q12809 1/20 0.37
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 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
SCHEMBL7033710 0.91 HRH2 (0.38) HRH2HRH1HRH3HTR7KCNH2
SCHEMBL2958755 0.90 KCNH2 (0.42) HRH2HRH1HRH3HTR7KCNH2
SCHEMBL5965605 0.89 HRH2 (0.38) HRH2HRH1HRH3HTR7KCNH2
SCHEMBL6093675 0.87 HRH2 (0.40) HRH2HRH1HRH3
SCHEMBL7243646 0.86 HRH3 (0.38) HRH2HRH1HRH3HTR7KCNH2
SCHEMBL6096906 0.86 HRH1 (0.46) HRH2HRH1HRH3HTR7KCNH2
SCHEMBL6095700 0.82 HRH3 (0.42) HRH2HRH1HRH3HTR7CYP19A1
SCHEMBL7244499 0.81 HRH2 (0.38) HRH2HRH1HRH3HTR7MEN1
SCHEMBL6095921 0.81 HRH3 (0.56) HRH2HRH1HRH3
SCHEMBL6095376 0.79 HRH3 (0.46) HRH2HRH1HRH3HTR7CYP19A1

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 HRH2 2122/4885HRH1 2707/4885HRH3 3033/4885

“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.