SCHEMBL2956562

SCHEMBL2956562

C=CCC(Oc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
HIF1A Q16665 1/20 0.39
ESRRA P11474 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7254297 0.84 AR (0.45) ARHIF1AESRRACA12CA1
SCHEMBL2961460 0.80 AR (0.43) ARHIF1AALDH1A1PPARGPPARD
SCHEMBL2959512 0.74 SLC6A4 (0.39) ARHIF1AESRRAPPARDPPARA
SCHEMBL587986 0.74 CYP19A1 (0.36) ALDH1A1CA12CA2CA9CA14
SCHEMBL5965549 0.71 HRH3 (0.40) ARHIF1APPARDPPARAMAPT
SCHEMBL5965675 0.71 HRH3 (0.44) ARPPARDPPARASLC6A4
SCHEMBL6619256 0.71 TSHR (0.43) ALDH1A1MAPTHTTKDM4E
SCHEMBL6094523 0.71 HRH3 (0.53) ARMAPTSLC6A4SLC6A2
SCHEMBL10964685 0.71 ALDH1A1 (0.47) HIF1AALDH1A1PPARGPPARDPPARA
SCHEMBL28644365 0.68 ACHE (0.46) HIF1AALDH1A1PPARGPPARDPPARA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
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
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
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
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP disclosed
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 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
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 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
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-1192157-A1 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-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
WO-2000077000-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 (5 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-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B AR 3569/4885HIF1A 3052/4885ESRRA 1824/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E AR 3712/4885HIF1A 2942/4885ESRRA 2004/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E AR 3394/4885HIF1A 2741/4885ESRRA 1658/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 AR 2213/4885HIF1A 1907/4885ESRRA 708/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E AR 3712/4885HIF1A 2942/4885ESRRA 2004/4885

“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.