SCHEMBL6094850

SCHEMBL6094850

N#Cc1ccc(NCCCN2CC3CN(CC4CC4)CC3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
MEN1 O00255 2/20 0.44
SIGMAR1 Q99720 4/20 0.43
CCR3 P51677 1/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
KMT2A Q03164 1/20 0.40
CACNA1B Q00975 2/20 0.38
CACNA1H O95180 1/20 0.37
CCR2 P41597 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL6986280 0.90 HRH3 (0.43) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL2959498 0.89 KCNH2 (0.43) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL4619682 0.86 MEN1 (0.48) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL5965836 0.85 HRH3 (0.43) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL6095697 0.84 CCR3 (0.43) HRH3MEN1CCR3HRH2HRH1
SCHEMBL6095695 0.83 HRH3 (0.43) HRH3MEN1CCR3HRH2HRH1
SCHEMBL6095593 0.82 CCR3 (0.45) HRH3MEN1CCR3HRH2HRH1
SCHEMBL6095491 0.82 HRH3 (0.60) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL4621353 0.82 MEN1 (0.45) HRH3MEN1SIGMAR1CCR3HRH2
SCHEMBL7243006 0.81 HRH3 (0.44) HRH3MEN1SIGMAR1CCR3HRH2

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 HRH3 3033/4885MEN1 2521/4885SIGMAR1 1091/4885

“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.