SCHEMBL6097401

SCHEMBL6097401

CCNC(=O)N1CC2CN(CCOc3ccc(C#N)cc3C#N)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
USP30 Q70CQ3 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
POLB P06746 1/20 0.37
MCHR1 Q99705 1/20 0.36
ALK Q9UM73 1/20 0.36
PDGFRB P09619 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
GRIN2B Q13224 1/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL6094447 0.92 ALDH1A1 (0.43) CHRNA7ALDH1A1HPGD
SCHEMBL6093289 0.89 CHRNA7 (0.40) CHRNA7USP30HRH2HRH1HRH3
SCHEMBL6095378 0.87 XDH (0.39) CHRNA7USP30HRH3PDGFRBXDH
SCHEMBL6199791 0.86 USP30 (0.43) USP30HRH2HRH1HRH3ALDH1A1
SCHEMBL6096450 0.86 HRH2 (0.53) CHRNA7HRH2HRH1HRH3ALDH1A1
SCHEMBL6093498 0.83 GRIN2B (0.57) PDGFRBGRIN2B
SCHEMBL6093453 0.83 P2RY12 (0.45) HRH2HRH1HRH3ALDH1A1HPGD
SCHEMBL6095202 0.82 USP30 (0.43) USP30DRD2
SCHEMBL6093573 0.82 GRIN2B (0.43) USP30PDGFRBGRIN2B
SCHEMBL6094143 0.81 HRH3 (0.57) CHRNA7HRH2HRH1HRH3DRD2

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 CHRNA7 284/4885USP30 4330/4885HRH2 2122/4885

“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.