SCHEMBL6094934

SCHEMBL6094934

CC(C)(C#N)OC(=O)N1CC2CN(CCOc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.47
HRH2 P25021 10/20 0.46
HRH1 P35367 10/20 0.46
HRH3 Q9Y5N1 8/20 0.46
GPR119 Q8TDV5 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6095505 0.91 GPR119 (0.51) KCNA5HRH2HRH1HRH3GPR119
SCHEMBL6096890 0.88 KCNA5 (0.46) KCNA5HRH2HRH1HRH3GPR119
SCHEMBL6094194 0.85 KCNH2 (0.49) MEN1ALDH1A1MAPT
SCHEMBL6094334 0.84 HRH2 (0.61) KCNA5HRH2HRH1HRH3
SCHEMBL5965911 0.84 GPR119 (0.44) KCNA5HRH2HRH1HRH3GPR119
SCHEMBL6202344 0.82 KCNA5 (0.57) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL6095474 0.82 HRH1 (0.50) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL6095806 0.82 HRH1 (0.40) HRH2HRH1HRH3GPR119MEN1
SCHEMBL6094707 0.82 HRH2 (0.38) HRH2HRH1HRH3GPR119MEN1
SCHEMBL7251556 0.81 HRH2 (0.42) KCNA5HRH2HRH1HRH3MEN1

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.