SCHEMBL6093983

SCHEMBL6093983

CC#CCOC(=O)N1CC2CN(CCCS(=O)(=O)c3ccc(C#N)cc3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.40
MMP13 P45452 5/20 0.40
MMP2 P08253 5/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 2/20 0.40
HRH1 P35367 7/20 0.39
HRH2 P25021 6/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
OPRM1 P35372 2/20 0.39
MMP14 P50281 3/20 0.37
HTR7 P34969 2/20 0.36
MMP1 P03956 1/20 0.35
CYP19A1 P11511 1/20 0.35
CACNA1F O60840 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 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
SCHEMBL6093051 0.89 HRH1 (0.49) HRH1HRH2HRH3HTR1ADRD4
SCHEMBL6096906 0.85 HRH1 (0.46) MMP13MMP2MMP9MMP8HRH1
SCHEMBL6093974 0.85 HRH1 (0.43) HRH1HRH2HRH3HTR1ADRD4
SCHEMBL6094069 0.83 GPR119 (0.43) HRH1HRH2HRH3
SCHEMBL6095760 0.83 HRH1 (0.39) ADAM17HRH1HRH2HRH3HTR1A
SCHEMBL6094969 0.82 HRH2 (0.48) ADAM17HRH1HRH2HRH3
SCHEMBL6095806 0.82 HRH1 (0.40) HRH1HRH2HRH3HTR1ADRD4
SCHEMBL6201460 0.81 HRH1 (0.48) HRH1HRH2HRH3HTR1ADRD4
SCHEMBL6095400 0.81 HTR7 (0.42) MMP2MMP9HRH1HRH2HRH3
SCHEMBL6096151 0.81 HRH1 (0.39) HRH1HRH2HRH3HTR1ADRD4

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 ADAM17 4146/4885MMP13 4619/4885MMP2 4706/4885

“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.