SCHEMBL6094069

SCHEMBL6094069

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
EGLN2 Q96KS0 1/20 0.39
NR1H2 P55055 1/20 0.39
AR P10275 1/20 0.39
HSD11B1 P28845 1/20 0.39
NAMPT P43490 1/20 0.38
P2RX7 Q99572 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL6095806 0.92 HRH1 (0.40) GPR119HRH2HRH1HRH3
SCHEMBL6096151 0.91 HRH1 (0.39) GPR119HRH2HRH1HRH3
SCHEMBL2956811 0.89 GPR119 (0.41) GPR119HRH2HRH1EGLN2AR
SCHEMBL6093051 0.88 HRH1 (0.49) HRH2HRH1HRH3
SCHEMBL5965534 0.86 GPR119 (0.44) GPR119HRH2HRH1EGLN2AR
SCHEMBL6096906 0.84 HRH1 (0.46) HRH2HRH1HRH3
SCHEMBL6095400 0.84 HTR7 (0.42) HRH2HRH1HRH3
SCHEMBL6093983 0.83 ADAM17 (0.40) HRH2HRH1HRH3
SCHEMBL6093974 0.83 HRH1 (0.43) HRH2HRH1HRH3
SCHEMBL6094317 0.82 HRH2 (0.38) HRH2HRH1HRH3

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 GPR119 3060/4885HRH2 2122/4885HRH1 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.