SCHEMBL6093698

SCHEMBL6093698

CCCCS(=O)(=O)N1CC2CN(CCOc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.51
HRH2 P25021 13/20 0.51
HRH1 P35367 13/20 0.51
MEN1 O00255 2/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL7032166 0.90 HRH2 (0.46) HRH3HRH2HRH1MEN1LTA4H
SCHEMBL2966190 0.89 KCNH2 (0.49) HRH3HRH2HRH1MEN1
SCHEMBL5965499 0.86 HRH2 (0.46) HRH3HRH2HRH1MEN1
SCHEMBL6094508 0.84 KCNH2 (0.54) MEN1
SCHEMBL6094515 0.84 KCNH2 (0.54) MEN1
SCHEMBL6094465 0.84 HRH3 (0.56) HRH3HRH2HRH1MEN1
SCHEMBL6097389 0.80 HRH3 (0.45) HRH3HRH2HRH1MEN1
SCHEMBL7034203 0.78 HRH2 (0.40) HRH3HRH2HRH1MEN1
SCHEMBL6094876 0.78 MGLL (0.51) HRH3HRH2HRH1MEN1
SCHEMBL7031453 0.77 KCNH2 (0.51) MEN1

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 3 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

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 3033/4885HRH2 2122/4885HRH1 2707/4885

“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.