SCHEMBL6095096

SCHEMBL6095096

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(C(=O)OCCN4CCOCC4)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
HRH1 P35367 7/20 0.45
HTR1A P08908 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
OPRM1 P35372 2/20 0.45
HRH2 P25021 6/20 0.44
HRH3 Q9Y5N1 3/20 0.44
CACNA1F O60840 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL5965789 0.89 EPHX2 (0.42) EPHX2HRH1HTR1ADRD4HTR2A
SCHEMBL6201460 0.88 HRH1 (0.48) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6096906 0.85 HRH1 (0.46) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093895 0.85 HRH2 (0.55) HRH1HRH2HRH3KMT2ACA12
SCHEMBL6093051 0.85 HRH1 (0.49) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093974 0.84 HRH1 (0.43) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6095528 0.84 HRH1 (0.44) EPHX2HRH1HTR1ADRD4HTR2A
SCHEMBL7251819 0.83 EPHX2 (0.42) EPHX2HRH1HRH2HRH3MAPT
SCHEMBL6096867 0.81 HRH1 (0.51) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL6093983 0.80 ADAM17 (0.40) HRH1HTR1ADRD4HTR2AOPRM1

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 EPHX2 3084/4885HRH1 2707/4885HTR1A 1544/4885

“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.