SCHEMBL6096820

SCHEMBL6096820

CC(=O)N1CCN(CCCN2CC3CN(CCOc4ccc(C#N)cc4C#N)CC3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.46
HRH1 P35367 4/20 0.43
HRH2 P25021 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KCNA5 P22460 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 1/20 0.40
THRB P10828 1/20 0.39
EPHX2 P34913 2/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD4 P21917 1/20 0.39
OPRM1 P35372 1/20 0.39
NSD2 O96028 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39

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
SCHEMBL6095366 0.86 DRD3 (0.60) DRD3HRH1HRH2HRH3KCNA5
SCHEMBL6199791 0.83 USP30 (0.43) HRH1HRH2HRH3KCNA5MEN1
SCHEMBL6093121 0.80 HRH3 (0.40) DRD3HRH1HRH2HRH3
SCHEMBL6097401 0.80 CHRNA7 (0.41) DRD3HRH1HRH2HRH3
SCHEMBL6095202 0.80 USP30 (0.43)
SCHEMBL6094447 0.79 ALDH1A1 (0.43)
SCHEMBL6096920 0.79 ALDH1A1 (0.37) HRH1HRH2HRH3KCNA5
SCHEMBL6095378 0.79 XDH (0.39) HRH3
SCHEMBL6093979 0.79 AR (0.41) DRD3HRH1HRH2HRH3
SCHEMBL6992978 0.78 DRD3 (0.58) DRD3HRH1HRH2HRH3KCNA5

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 DRD3 240/4885HRH1 2707/4885HRH2 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.