SCHEMBL6095700

SCHEMBL6095700

CCS(=O)(=O)CCCN1CC2CN(CCCS(=O)(=O)c3ccc(C#N)cc3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
HTR7 P34969 2/20 0.41
CYP19A1 P11511 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 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
SCHEMBL7028285 0.90 CYP19A1 (0.38) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL2963106 0.89 KCNH2 (0.41) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL5965627 0.87 HRH2 (0.37) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL6095376 0.86 HRH3 (0.46) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL7242820 0.86 HRH3 (0.40) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL6095400 0.85 HTR7 (0.42) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL6095242 0.84 HRH3 (0.59) HRH3HRH2HRH1HTR7CYP19A1
SCHEMBL6093051 0.83 HRH1 (0.49) HRH3HRH2HRH1HTR7ALDH1A1
SCHEMBL6095695 0.83 HRH3 (0.43) HRH3HRH2HRH1HTR7TMEM97
SCHEMBL6094465 0.83 HRH3 (0.56) 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 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 HRH3 3033/4885HRH2 2122/4885HRH1 2707/4885

“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.