SCHEMBL5965411

SCHEMBL5965411

CS(=O)(=O)OCCCC(Oc1ccc(OC2CCCCO2)cc1)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
SLC6A4 P31645 1/20 0.40
MEN1 O00255 4/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
TSHR P16473 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL6987525 0.85 HRH3 (0.37) HRH3SLC6A4MEN1KMT2ALNPEP
SCHEMBL5965706 0.84 HRH3 (0.40) HRH3SLC6A4MEN1KMT2AHRH2
SCHEMBL7093343 0.84 HRH3 (0.41) HRH3SLC6A4MEN1KMT2A
SCHEMBL7250411 0.78 SLC6A4 (0.43) HRH3SLC6A4MEN1KMT2AHRH2
SCHEMBL7556966 0.78 HRH3 (0.36) HRH3SLC6A4MEN1KMT2A
SCHEMBL5965502 0.77 HRH3 (0.37) HRH3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL6977224 0.77 HRH3 (0.40) HRH3SLC6A4MEN1KMT2AHRH2
SCHEMBL5965958 0.76 HRH3 (0.37) HRH3SLC6A4MEN1KMT2AHRH2
SCHEMBL5965701 0.75 GPR119 (0.42) HRH3SLC6A4MEN1KMT2A
SCHEMBL7245226 0.74 HRH3 (0.41) HRH3SLC6A4MEN1KMT2AHRH2

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 12 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
EP-1328526-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-07-23 EP disclosed
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed
US-6465481-B1 EXHIBIT ELECTROPHYSIOLOGICAL ACTIVITY; MAY BE MORE POTENT AND PRODUCE FEWER SIDE EFFECTS INCLUDING LOWER INCIDENCE OF PROARRHYTHMIAS SUCH AS TORSADES DE POINTES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2002032902-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-25 WO disclosed
EP-1192155-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2000076997-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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 (2 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 HRH3 2774/4885SLC6A4 4154/4885MEN1 2378/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 HRH3 742/4885SLC6A4 4858/4885MEN1 1813/4885

“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.