SCHEMBL5965521

SCHEMBL5965521

CCCCCCNC(=O)N1C2CCC1CN(CCCC(Oc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
DRD3 P35462 2/20 0.40
TBXA2R P21731 6/20 0.38
MCHR1 Q99705 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 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
SCHEMBL5965486 0.92 MCHR1 (0.40) DRD3MCHR1TMEM97SLC6A4HRH3
SCHEMBL5965546 0.88 MGLL (0.41) MGLLDRD3TBXA2R
SCHEMBL5965429 0.86 HRH3 (0.39) DRD3MCHR1SLC6A4HRH3HRH2
SCHEMBL5965542 0.86 SLC6A4 (0.41) DRD3MCHR1SLC6A4HRH3HRH2
SCHEMBL7242638 0.84 MGLL (0.39) MGLLDRD3TBXA2RMCHR1TMEM97
SCHEMBL5965518 0.82 HRH3 (0.39) DRD3MCHR1SLC6A4HRH3HRH2
SCHEMBL5965689 0.82 SLC6A4 (0.39) SLC6A4HRH3
SCHEMBL6095424 0.80 POLB (0.41) DRD3MCHR1TMEM97SLC6A4HRH3
SCHEMBL7250836 0.80 MGLL (0.39) MGLLDRD3TBXA2RSLC6A4HRH3
SCHEMBL5965641 0.79 POLB (0.42) DRD3MCHR1SLC6A4HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012074-B2 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-03-14 US disclosed
US-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-02-05 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-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, RYR2 MGLL 3751/4885DRD3 224/4885TBXA2R 156/4885

“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.