SCHEMBL4501796

SCHEMBL4501796

CS(=O)(=O)N(CCN1CC2CN(Cc3ccc(F)cc3)CC(C1)O2)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
KCNA5 P22460 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD4 P21917 1/20 0.41
S1PR1 P21453 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NR1H2 P55055 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL4518316 0.90 CNR1 (0.42) CNR1CNR2GAALMNADRD4
SCHEMBL4522546 0.88 DRD2 (0.41) PER2CRY1CRY2KCNA5S1PR1
SCHEMBL4512631 0.87 FNTA (0.43) SMN1; SMN2ALDH1A1TAS2R14
SCHEMBL4512073 0.82 KCNH2 (0.40) PER2CRY1CRY2KCNA5ALDH1A1
SCHEMBL4511630 0.82 CYP2D6 (0.39) DRD4SMN1; SMN2ALDH1A1TAS2R14SIGMAR1
Hydrochloric Acid SCHEMBL4516356 0.80 ALDH1A1 (0.39) PER2CRY1CRY2CNR2GAA
SCHEMBL4523456 0.78 KCNH2 (0.41) TAS2R14
SCHEMBL4514177 0.78 KCNH2 (0.40) KCNA5GAALMNADRD4SMN1; SMN2
SCHEMBL4513567 0.78 THRB (0.41) PER2CRY1CRY2LMNAS1PR1
SCHEMBL4513824 0.78 FNTA (0.49) CNR2SMN1; SMN2ALDH1A1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US claimed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US claimed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US claimed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 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 (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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PER2 2092/4885CRY1 771/4885CRY2 1648/4885

“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.