SCHEMBL6093979

SCHEMBL6093979

COCCOCCN1CC2CN(CCOc3ccc(C#N)cc3C#N)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
HRH3 Q9Y5N1 6/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
DRD3 P35462 2/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5965570 0.89 HRH3 (0.39) ARHRH3HRH2HRH1
SCHEMBL6095921 0.83 HRH3 (0.56) HRH3HRH2HRH1
SCHEMBL5721663 0.83 AR (0.50) AR
SCHEMBL6094932 0.82 SIGMAR1 (0.43) ARHRH3HRH2HRH1DRD3
SCHEMBL6093121 0.82 HRH3 (0.40) HRH3HRH2HRH1DRD3DRD2
SCHEMBL6094143 0.81 HRH3 (0.57) HRH3HRH2HRH1DRD3DRD2
SCHEMBL6199791 0.80 USP30 (0.43) HRH3HRH2HRH1
SCHEMBL7244317 0.80 HRH3 (0.40) HRH3HRH2HRH1DRD3DRD2
SCHEMBL6096920 0.79 ALDH1A1 (0.37) ARHRH3HRH2HRH1
SCHEMBL6096820 0.79 DRD3 (0.46) HRH3HRH2HRH1DRD3

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 AR 2247/4885HRH3 3033/4885HRH2 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.