SCHEMBL6093832

SCHEMBL6093832

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(C(=O)NCC4CC4)CC3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
HRH3 Q9Y5N1 1/20 0.38
HTR7 P34969 1/20 0.38
CXCR3 P49682 1/20 0.37
KDM1A O60341 1/20 0.37
CYP19A1 P11511 1/20 0.36
CCR3 P51677 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
NAMPT P43490 2/20 0.35
CHRNA7 P36544 1/20 0.35
EPHX2 P34913 2/20 0.35
SCN9A Q15858 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
SCHEMBL6095508 0.89 HRH2 (0.41) HRH2HRH1HRH3HTR7CYP19A1
SCHEMBL5965869 0.88 SCN9A (0.38) HRH2HRH1CXCR3KDM1ACYP19A1
SCHEMBL6096585 0.86 MGLL (0.42) HRH2HRH1HRH3NAMPTEPHX2
SCHEMBL6095400 0.84 HTR7 (0.42) HRH2HRH1HRH3HTR7CYP19A1
SCHEMBL6093925 0.84 HRH2 (0.41) HRH2HRH1HRH3HTR7CYP19A1
SCHEMBL7246992 0.83 HRH2 (0.38) HRH2HRH1HRH3HTR7CXCR3
SCHEMBL6095376 0.82 HRH3 (0.46) HRH2HRH1HRH3HTR7CYP19A1
SCHEMBL6095593 0.82 CCR3 (0.45) HRH2HRH1HRH3KDM1ACCR3
SCHEMBL6093675 0.81 HRH2 (0.40) HRH2HRH1HRH3CCR3NAMPT
SCHEMBL6199933 0.81 HRH2 (0.43) HRH2HRH1HRH3KDM1A

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 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.