SCHEMBL6095378

SCHEMBL6095378

CC(C)NC(=O)N1CC2CN(CCOc3ccc(C#N)cc3C#N)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
USP30 Q70CQ3 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 1/20 0.38
CHRNA7 P36544 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
PDGFRB P09619 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
SCHEMBL6094158 0.89 SMN1; SMN2 (0.43) XDHMAPK1SMN1; SMN2CCR5
SCHEMBL6097401 0.87 CHRNA7 (0.41) XDHHRH3USP30CHRNA7PDGFRB
SCHEMBL6093755 0.86 HRH3 (0.49) HRH3
SCHEMBL5965463 0.86 AR (0.38) XDHMAPK1SMN1; SMN2CHRNA7
SCHEMBL6094447 0.85 ALDH1A1 (0.43) CHRNA7
SCHEMBL6199791 0.85 USP30 (0.43) XDHHRH3USP30
SCHEMBL6093289 0.85 CHRNA7 (0.40) HRH3USP30CHRNA7PDGFRB
SCHEMBL6093498 0.83 GRIN2B (0.57) PDGFRB
SCHEMBL6093453 0.82 P2RY12 (0.45) HRH3
SCHEMBL6094877 0.82 P2RY12 (0.35) USP30CHRNA7PDGFRB

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 XDH 1458/4885HRH3 3033/4885USP30 4330/4885

“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.