SCHEMBL6094564

SCHEMBL6094564

N#Cc1ccc(OCCN2CC3CN(Cc4ccc(F)cc4)CC3C2)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
DRD3 P35462 11/20 0.51
DRD4 P21917 1/20 0.38
S1PR5 Q9H228 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 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
SCHEMBL5965798 0.87 DRD2 (0.44) DRD2DRD3DRD4S1PR5HRH3
SCHEMBL6093626 0.84 HRH3 (0.51) DRD2DRD3S1PR5HRH3HRH2
SCHEMBL6094932 0.80 SIGMAR1 (0.43) DRD2DRD3HRH3HRH2HRH1
SCHEMBL6094143 0.80 HRH3 (0.57) DRD2DRD3HRH3HRH2HRH1
SCHEMBL6093979 0.78 AR (0.41) DRD2DRD3HRH3HRH2HRH1
SCHEMBL6199791 0.78 USP30 (0.43) HRH3HRH2HRH1
SCHEMBL7244317 0.76 HRH3 (0.40) DRD2DRD3HRH3HRH2HRH1
SCHEMBL6093121 0.76 HRH3 (0.40) DRD2DRD3HRH3HRH2HRH1
SCHEMBL6996340 0.76 S1PR5 (0.45) DRD2DRD3S1PR5HRH3HRH2
SCHEMBL6096920 0.75 ALDH1A1 (0.37) HRH3HRH2HRH1

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 DRD2 509/4885DRD3 240/4885DRD4 333/4885

“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.