SCHEMBL4512005

SCHEMBL4512005

CC(C)(C)N(CCN1CC2CN(CCN(CCCc3ccc(C#N)cc3)S(C)(=O)=O)CC(C1)O2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
DPP4 P27487 2/20 0.34
CCR5 P51681 4/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FAP Q12884 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KCNJ1 P48048 1/20 0.33
NNMT P40261 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DRD2 P14416 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
SCHEMBL6003211 0.90 HRH1 (0.39) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL1619080 0.89 KCNH2 (0.43) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4507239 0.87 KCNH2 (0.43) KCNH2HRH1
SCHEMBL1619417 0.85 DPP4 (0.41) KCNH2DPP4CCR5DRD2DRD3
SCHEMBL5116804 0.85 KCNH2 (0.42) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4513667 0.84 OPRM1 (0.40) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4523088 0.84 KCNH2 (0.37) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4508018 0.84 GPR119 (0.40) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL1619372 0.84 HTR1A (0.39) KCNH2HTR1ADRD4HTR2AHRH1
SCHEMBL4505273 0.83 HRH1 (0.37) 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 4 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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 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-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 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 (3 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 KCNH2 14/4885HTR1A 2932/4885DRD4 963/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HTR1A 2932/4885DRD4 963/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HTR1A 2932/4885DRD4 963/4885

“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.