SCHEMBL6093537

SCHEMBL6093537

CC(C)(C)C(=O)CN1CC2CN(CCOc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.49
HRH2 P25021 9/20 0.49
HRH1 P35367 9/20 0.49
HRH3 Q9Y5N1 9/20 0.49
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7028501 0.91 KCNA5 (0.47) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL2967821 0.90 KCNH2 (0.48) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL5965670 0.85 KCNA5 (0.44) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL6096920 0.85 ALDH1A1 (0.37) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL2964375 0.84 KCNH2 (0.54) HRH2HRH1HRH3
SCHEMBL6094912 0.83 KCNH2 (0.52) ALDH1A1MAPT
SCHEMBL6094907 0.83 KCNH2 (0.52) ALDH1A1MAPT
SCHEMBL6095815 0.82 GRIN1 (0.44) HRH2HRH1HRH3GRIN1GRIN2B
SCHEMBL6095817 0.82 GRIN1 (0.44) HRH2HRH1HRH3GRIN1GRIN2B
SCHEMBL7250291 0.82 HRH2 (0.43) KCNA5HRH2HRH1HRH3ALDH1A1

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 KCNA5 46/4885HRH2 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.