SCHEMBL6096920

SCHEMBL6096920

CC(C)(C)C(=O)CN1CC2CN(CCOc3ccc(C#N)cc3C#N)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
XDH P47989 1/20 0.37
KCNA5 P22460 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP30 Q70CQ3 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AR P10275 2/20 0.35

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
SCHEMBL2967832 0.91 KDM4E (0.39) ALDH1A1HPGDKCNA5SSTR4KDM4E
SCHEMBL6093537 0.85 KCNA5 (0.49) ALDH1A1KCNA5HRH2HRH1HRH3
SCHEMBL6095202 0.84 USP30 (0.43) AAK1USP30
SCHEMBL6094158 0.83 SMN1; SMN2 (0.43) ALDH1A1XDHKCNA5
SCHEMBL6199791 0.83 USP30 (0.43) ALDH1A1HPGDXDHKCNA5KDM4E
SCHEMBL6096176 0.82 GRIN2B (0.48) ALDH1A1KCNA5KDM4ENPC1RAB9A
SCHEMBL6097401 0.80 CHRNA7 (0.41) ALDH1A1HPGDXDHUSP30HRH2
SCHEMBL6096820 0.79 DRD3 (0.46) KCNA5HRH2HRH1HRH3
SCHEMBL6095378 0.79 XDH (0.39) XDHAAK1USP30HRH3
SCHEMBL6093979 0.79 AR (0.41) HRH2HRH1HRH3AR

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 ALDH1A1 214/4885HPGD 3321/4885XDH 1458/4885

“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.