SCHEMBL6095508

SCHEMBL6095508

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
HRH3 Q9Y5N1 2/20 0.40
LOX P28300 1/20 0.39
CYP19A1 P11511 1/20 0.37
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR7 P34969 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL6096585 0.91 MGLL (0.42) HRH2HRH1HRH3MAPK1EPHX2
SCHEMBL6093832 0.89 HRH2 (0.41) HRH2HRH1HRH3CYP19A1CHRNA7
SCHEMBL6093925 0.87 HRH2 (0.41) HRH2HRH1HRH3CYP19A1HTR7
SCHEMBL5965426 0.86 HRH2 (0.38) HRH2HRH1LOXCYP19A1CHRNA7
SCHEMBL6095400 0.85 HTR7 (0.42) HRH2HRH1HRH3CYP19A1HTR7
SCHEMBL6093051 0.84 HRH1 (0.49) HRH2HRH1HRH3HTR7KMT2A
SCHEMBL6093675 0.84 HRH2 (0.40) HRH2HRH1HRH3CHRNA7DRD2
SCHEMBL6199933 0.84 HRH2 (0.43) HRH2HRH1HRH3CYP3A4
SCHEMBL6095700 0.82 HRH3 (0.42) HRH2HRH1HRH3CYP19A1HTR7
SCHEMBL6094371 0.82 CCR3 (0.41) HRH2HRH1HRH3FAAHCYP3A4

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.