SCHEMBL6094969

SCHEMBL6094969

CC#CCOC(=O)N1CC2CN(CCOc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.48
HRH1 P35367 12/20 0.48
HRH3 Q9Y5N1 8/20 0.48
KCNA5 P22460 5/20 0.46
ADAM17 P78536 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6094334 0.88 HRH2 (0.61) HRH2HRH1HRH3KCNA5
SCHEMBL6095474 0.85 HRH1 (0.50) HRH2HRH1HRH3KCNA5ALDH1A1
SCHEMBL6096348 0.85 KCNH2 (0.48) ALDH1A1MAPT
SCHEMBL5965780 0.84 HRH2 (0.45) HRH2HRH1HRH3KCNA5ALDH1A1
SCHEMBL6095760 0.82 HRH1 (0.39) HRH2HRH1HRH3ADAM17
SCHEMBL6093983 0.82 ADAM17 (0.40) HRH2HRH1HRH3ADAM17
SCHEMBL6095505 0.82 GPR119 (0.51) HRH2HRH1HRH3KCNA5
SCHEMBL6096247 0.82 HRH1 (0.57) HRH2HRH1HRH3KCNA5
SCHEMBL6094981 0.82 HRH2 (0.49) HRH2HRH1HRH3KCNA5
SCHEMBL7252026 0.81 HRH2 (0.41) HRH2HRH1HRH3KCNA5

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.