SCHEMBL6096450

SCHEMBL6096450

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.53
HRH1 P35367 8/20 0.53
HRH3 Q9Y5N1 6/20 0.53
KCNA5 P22460 6/20 0.48
CHRNA7 P36544 1/20 0.46
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL6094876 0.89 MGLL (0.51) HRH2HRH1HRH3KCNA5CHRNA7
SCHEMBL6738151 0.89 KCNA5 (0.47) HRH2HRH1HRH3KCNA5CHRNA7
SCHEMBL2967829 0.88 KCNH2 (0.48) HRH2HRH1HRH3KCNA5CHRNA7
SCHEMBL6094006 0.88 HRH2 (0.49) HRH2HRH1HRH3KCNA5CHRNA7
SCHEMBL6093755 0.86 HRH3 (0.49) HRH2HRH1HRH3KCNA5
SCHEMBL6097401 0.86 CHRNA7 (0.41) HRH2HRH1HRH3CHRNA7GRIN2B
SCHEMBL6095924 0.85 HRH2 (0.45) HRH2HRH1HRH3KCNA5CHRNA7
SCHEMBL6094334 0.84 HRH2 (0.61) HRH2HRH1HRH3KCNA5
SCHEMBL6096564 0.84 KCNH2 (0.52) ALDH1A1MAPT
SCHEMBL6202344 0.83 KCNA5 (0.57) HRH2HRH1HRH3KCNA5ALDH1A1

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.