SCHEMBL6094932

SCHEMBL6094932

N#Cc1ccc(OCCN2CC3CN(CC4CC4)CC3C2)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 6/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
TBK1 Q9UHD2 1/20 0.38
KDM2B Q8NHM5 3/20 0.38
AR P10275 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ESR1 P03372 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
SCHEMBL5965684 0.86 SIGMAR1 (0.42) SIGMAR1HRH3DRD2DRD3HRH2
SCHEMBL6199791 0.84 USP30 (0.43) HRH3HRH2HRH1USP30
SCHEMBL6094143 0.83 HRH3 (0.57) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6093289 0.82 CHRNA7 (0.40) HRH3HRH2HRH1TBK1AR
SCHEMBL7244317 0.82 HRH3 (0.40) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6093979 0.82 AR (0.41) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6093121 0.81 HRH3 (0.40) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6094564 0.80 DRD2 (0.51) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6097401 0.79 CHRNA7 (0.41) HRH3DRD2DRD3HRH2HRH1
SCHEMBL6095202 0.79 USP30 (0.43) DRD2USP30

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 SIGMAR1 1091/4885HRH3 3033/4885DRD2 509/4885

“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.