SCHEMBL6094293

SCHEMBL6094293

Cc1ccc(S(=O)(=O)NC(=O)N2CC3CN(C[C@H](N)COc4ccc(C#N)cc4)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TRPV4 Q9HBA0 2/20 0.45
HRH1 P35367 4/20 0.42
HRH2 P25021 3/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.41
P2RY12 Q9H244 1/20 0.41
CCR3 P51677 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KDM1A O60341 3/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL6095012 0.90 ALDH1A1 (0.53) ALDH1A1HRH1HRH2POLBLMNA
SCHEMBL6096140 0.86 KCNA5 (0.52) ALDH1A1HRH1HRH2POLBLMNA
SCHEMBL6741288 0.83 ALDH1A1 (0.51) ALDH1A1HRH1HRH2POLBLMNA
SCHEMBL6093377 0.81 KCNH2 (0.43) ALDH1A1TRPV4HRH1HRH2KCNH2
SCHEMBL6095730 0.81 CHRNA7 (0.41) TRPV4HRH1HRH2POLBKCNH2
SCHEMBL7098157 0.81 KCNH2 (0.43) ALDH1A1TRPV4HRH1HRH2KCNH2
SCHEMBL5965949 0.80 ALDH1A1 (0.52) ALDH1A1HRH1HRH2POLBLMNA
SCHEMBL6199933 0.79 HRH2 (0.43) ALDH1A1HRH1HRH2POLBLMNA
SCHEMBL6093806 0.79 CHRNA7 (0.41) TRPV4HRH1HRH2KCNH2HRH3
SCHEMBL6096127 0.78 MGLL (0.47) TRPV4HRH1HRH2KCNH2HRH3

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 3 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

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 ALDH1A1 214/4885TRPV4 625/4885HRH1 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.