SCHEMBL6094936

SCHEMBL6094936

N#Cc1ccc(OC[C@H](N)CN2CC3CN(Cc4ccc(F)cc4)CC3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
CACNA1G O43497 3/20 0.44
KCNH2 Q12809 3/20 0.44
S1PR5 Q9H228 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
DRD4 P21917 2/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL6094931 1.00 DRD2 (0.47) DRD2DRD3CACNA1GKCNH2S1PR5
SCHEMBL6093626 0.81 HRH3 (0.51) DRD2DRD3S1PR5HRH3HRH1
SCHEMBL6996268 0.80 CACNA1G (0.57) CACNA1GKCNH2HRH1CCR3
SCHEMBL6094329 0.79 SIGMAR1 (0.54) HRH3HRH1
SCHEMBL6094323 0.79 SIGMAR1 (0.54) HRH3HRH1
SCHEMBL2970090 0.79 KCNH2 (0.58) DRD2DRD3CACNA1GKCNH2HRH1
SCHEMBL5965712 0.78 PRKAA2 (0.42) DRD2DRD3S1PR5HRH3HRH1
SCHEMBL5965520 0.77 CACNA1G (0.53) CACNA1GKCNH2S1PR5HRH1CCR3
SCHEMBL5965535 0.76 HRH3 (0.50) DRD2DRD3S1PR5HRH3HRH1
SCHEMBL5965529 0.76 HRH3 (0.50) DRD2DRD3S1PR5HRH3HRH1

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 DRD2 509/4885DRD3 240/4885CACNA1G 11/4885

“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.