SCHEMBL6096151

SCHEMBL6096151

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.39
HRH2 P25021 6/20 0.39
HRH3 Q9Y5N1 2/20 0.36
HTR7 P34969 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CCL5 P13501 1/20 0.35
CCR5 P51681 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
OPRM1 P35372 1/20 0.35
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6094069 0.91 GPR119 (0.43) HRH1HRH2HRH3GPR119
SCHEMBL6095806 0.89 HRH1 (0.40) HRH1HRH2HRH3HTR7GPR119
SCHEMBL5965757 0.87 HRH2 (0.36) HRH1HRH2GPR119TRPV4CYP19A1
SCHEMBL6093051 0.85 HRH1 (0.49) HRH1HRH2HRH3HTR7HTR1A
SCHEMBL6093467 0.83 HRH2 (0.37) HRH1HRH2HRH3GPR119USP30
SCHEMBL7248406 0.83 HRH2 (0.37) HRH1HRH2HRH3HTR7TRPV4
SCHEMBL6096890 0.82 KCNA5 (0.46) HRH1HRH2HRH3GPR119ALDH1A1
SCHEMBL6096906 0.82 HRH1 (0.46) HRH1HRH2HRH3HTR7CYP19A1
SCHEMBL6095400 0.81 HTR7 (0.42) HRH1HRH2HRH3HTR7CCL5
SCHEMBL2956811 0.81 GPR119 (0.41) HRH1HRH2GPR119

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 HRH1 2707/4885HRH2 2122/4885HRH3 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.