SCHEMBL6095366

SCHEMBL6095366

CC(=O)N1CCN(CCCN2CC3CN(CCOc4ccc(C#N)cc4)CC3C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.60
KCNA5 P22460 5/20 0.58
HRH2 P25021 9/20 0.58
HRH1 P35367 9/20 0.58
HRH3 Q9Y5N1 8/20 0.58
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
MEN1 O00255 1/20 0.51

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
SCHEMBL6992978 0.92 DRD3 (0.58) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL2967914 0.91 DRD3 (0.57) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL6096247 0.90 HRH1 (0.57) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL5965580 0.88 HRH2 (0.54) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL6094254 0.87 POLB (0.54) DRD3HRH2HRH1HRH3MEN1
SCHEMBL6094259 0.87 POLB (0.54) DRD3HRH2HRH1HRH3MEN1
SCHEMBL6095374 0.86 HRH2 (0.48) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL6095370 0.86 HRH2 (0.48) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL6096820 0.86 DRD3 (0.46) DRD3KCNA5HRH2HRH1HRH3
SCHEMBL7094269 0.83 HRH1 (0.45) DRD3KCNA5HRH2HRH1HRH3

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 DRD3 240/4885KCNA5 46/4885HRH2 2122/4885

“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.