SCHEMBL6093467

SCHEMBL6093467

CC(C)(CO)OC(=O)N1CC2CN(CCCNc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.37
HRH1 P35367 5/20 0.37
CCR3 P51677 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
MEN1 O00255 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
GRIN2B Q13224 1/20 0.35
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
AR P10275 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL6093964 0.91 GPR119 (0.43) HRH2HRH1JAK2JAK1GPR119
SCHEMBL6094707 0.89 HRH2 (0.38) HRH2HRH1CCR3USP30HRH3
SCHEMBL6615091 0.86 GPR119 (0.41) HRH2HRH1JAK2JAK1GPR119
SCHEMBL5965674 0.86 AR (0.39) HRH2HRH1CCR3JAK2JAK1
SCHEMBL6094571 0.85 HRH1 (0.49) HRH2HRH1CCR3USP30HRH3
SCHEMBL6096151 0.83 HRH1 (0.39) HRH2HRH1USP30HRH3GPR119
SCHEMBL7242597 0.83 CCR3 (0.38) HRH2HRH1CCR3HRH3MEN1
SCHEMBL6095697 0.82 CCR3 (0.43) HRH2HRH1CCR3HRH3MEN1
SCHEMBL6095044 0.82 GRIN2B (0.39) HRH2HRH1CCR3HRH3MEN1
SCHEMBL6096890 0.82 KCNA5 (0.46) HRH2HRH1HRH3MEN1GPR119

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 2707/4885CCR3 1966/4885

“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.