SCHEMBL6095374

SCHEMBL6095374

CC(=O)N1CCN(CCCN2CC3CN(C[C@@H](N)COc4ccc(C#N)cc4)CC3C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.48
HRH1 P35367 11/20 0.48
HRH3 Q9Y5N1 3/20 0.48
MEN1 O00255 1/20 0.44
DRD3 P35462 1/20 0.43
KCNA5 P22460 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 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
SCHEMBL6095370 1.00 HRH2 (0.48) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6094259 0.89 POLB (0.54) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6094254 0.89 POLB (0.54) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6095366 0.86 DRD3 (0.60) HRH2HRH1HRH3MEN1DRD3
SCHEMBL7035874 0.83 POLB (0.52) HRH2HRH1HRH3MEN1POLB
SCHEMBL2964372 0.82 KCNH2 (0.63) HRH2HRH1HRH3MEN1POLB
SCHEMBL5965484 0.80 POLB (0.51) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6094368 0.80 HRH3 (0.45) HRH2HRH1HRH3MEN1POLB
SCHEMBL7098324 0.80 HRH3 (0.45) HRH2HRH1HRH3MEN1POLB
SCHEMBL6094373 0.80 HRH3 (0.45) HRH2HRH1HRH3MEN1POLB

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 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.