SCHEMBL1619341

SCHEMBL1619341

O=S(=O)(c1ccccc1)N1CC2CN(Cc3ccccc3)CC(C1)O2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
CYP2D6 P10635 4/20 0.52
USP2 O75604 3/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.49
CYP3A4 P08684 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.47
HTR2A P28223 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4266238 0.88 ALDH1A1 (0.50) TSHRALDH1A1POLBCYP3A4CYP2C9
SCHEMBL1619442 0.81 CYP2D6 (0.53) TSHRCYP2D6USP2KDM4EALDH1A1
SCHEMBL1619050 0.81 CYP2D6 (0.53) TSHRCYP2D6USP2KDM4EALDH1A1
SCHEMBL5241006 0.80 CYP2D6 (0.52) TSHRCYP2D6USP2KDM4EALDH1A1
SCHEMBL11835973 0.80 ALDH1A1 (0.52) KDM4EALDH1A1POLBL3MBTL1TP53
SCHEMBL4776900 0.77 CYP2C9 (0.47) ALDH1A1POLBLMNAL3MBTL1TP53
SCHEMBL5316198 0.77 DRD4 (0.50)
SCHEMBL12187772 0.76 FUCA1 (0.55) CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL60509 0.76 FUCA1 (0.55) CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL3315165 0.76 FUCA1 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes ASTRAZENECA AB (SE) 2010-06-24 US disclosed
EP-1554285-B1 CHEMICAL INTERMEDIATE ASTRAZENECA AB (SE) 2010-01-13 EP disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
US-20090240051-A1 New process for the production of oxabispidines ASTRAZENECA AB (SE) 2009-09-24 US disclosed
US-20090062532-A1 Chemical Intermediate ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20090036675-A1 New process for production of oxabispidines ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083690-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083691-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002028863-A1 NEW OXABISPIDINE COMPOUND USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-11 WO disclosed
WO-2002028864-A1 NEW PROCESS FOR THE PRODUCTION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-04-11 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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 (6 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 TSHR 948/4885CYP2D6 67/4885USP2 4085/4885
US-20090240051-A1 New process for the production of oxabispidines AVPR1B, CCNB1, QDPR TSHR 1299/4885CYP2D6 14/4885USP2 4240/4885
US-20090036675-A1 New process for production of oxabispidines AVPR1B, CCNB1, DHPS TSHR 1215/4885CYP2D6 14/4885USP2 4326/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1242/4885CYP2D6 93/4885USP2 4320/4885
US-20090062532-A1 Chemical Intermediate NAT1, CYP2B6, CBR1 TSHR 1686/4885CYP2D6 44/4885USP2 3954/4885
US-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes CYP2D6, KCNH1, CYP2B6 TSHR 2116/4885CYP2D6 1/4885USP2 4736/4885

“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.