SCHEMBL5116804

SCHEMBL5116804

CS(=O)(=O)N(CCCc1ccc(C#N)cc1)CCN1CC2CN(CCNC(=O)O)CC(C1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
GPBAR1 Q8TDU6 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
HTR1A P08908 2/20 0.35
DRD4 P21917 2/20 0.35
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
USP14 P54578 1/20 0.34
CCR5 P51681 1/20 0.34
CCR3 P51677 1/20 0.33
KCNJ1 P48048 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CACNA1F O60840 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33

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
SCHEMBL4669159 0.86 KCNH2 (0.49) KCNH2HRH1HRH2
SCHEMBL4505273 0.86 HRH1 (0.37) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL2967590 0.85 KCNH2 (0.44) KCNH2GPBAR1CD274HTR1ADRD4
SCHEMBL4513667 0.85 OPRM1 (0.40) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL5533435 0.85 KCNH2 (0.38) KCNH2GPBAR1CD274HTR1ADRD4
Hydrochloric Acid SCHEMBL4521680 0.85 KCNH2 (0.36) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4512005 0.85 KCNH2 (0.36) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4125747 0.84 KCNH2 (0.48) KCNH2GPBAR1CD274DRD2DRD3
SCHEMBL4523088 0.83 KCNH2 (0.37) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL5533438 0.83 HTR1A (0.38) KCNH2HTR1ADRD4HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 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 (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-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885GPBAR1 820/4885CD274 1922/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885GPBAR1 820/4885CD274 1922/4885

“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.