SCHEMBL6095491

SCHEMBL6095491

N#Cc1ccc(NCCCN2CC3CNCC3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.60
HRH2 P25021 3/20 0.60
HRH1 P35367 3/20 0.60
MEN1 O00255 2/20 0.45
CCR3 P51677 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1H O95180 1/20 0.38
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
PKM P14618 1/20 0.37
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL2958790 0.86 HRH3 (0.46) HRH3HRH2HRH1MEN1CCR3
SCHEMBL4619682 0.85 MEN1 (0.48) HRH3HRH2HRH1MEN1CCR3
SCHEMBL5965540 0.83 MEN1 (0.48) HRH3HRH2HRH1MEN1CCR3
SCHEMBL6094850 0.82 HRH3 (0.50) HRH3HRH2HRH1MEN1CCR3
SCHEMBL3285314 0.82 ALDH1A1 (0.47) HRH3HRH2HRH1CCR3
SCHEMBL4621353 0.82 MEN1 (0.45) HRH3HRH2HRH1MEN1CCR3
SCHEMBL2967483 0.81 KCNH2 (0.48) HRH3HRH2HRH1MEN1CCR3
SCHEMBL7243006 0.81 HRH3 (0.44) HRH3HRH2HRH1MEN1CCR3
SCHEMBL6095697 0.81 CCR3 (0.43) HRH3HRH2HRH1MEN1CCR3
SCHEMBL6094371 0.81 CCR3 (0.41) HRH3HRH2HRH1MEN1CCR3

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 HRH3 3033/4885HRH2 2122/4885HRH1 2707/4885

“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.