SCHEMBL1619282

SCHEMBL1619282

CC(C)(C)N(CCN1CC2CN(CCOCc3ccc(C#N)cc3)CC(C1)O2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.38
KCNH2 Q12809 2/20 0.38
GBA1 P04062 1/20 0.36
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36
CCR5 P51681 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR1A P08908 3/20 0.34
DRD4 P21917 2/20 0.34
HRH1 P35367 2/20 0.34
HTR2A P28223 1/20 0.34
OPRM1 P35372 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH2 P25021 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
SCHEMBL1619372 0.92 HTR1A (0.39) CHRM3KCNH2CCR5L3MBTL1CHRM2
SCHEMBL1619682 0.88 KCNH2 (0.45) KCNH2HRH1HRH2HRH3MEN1
SCHEMBL1619417 0.87 DPP4 (0.41) KCNH2CCR5MAOBDRD2MEN1
SCHEMBL1619080 0.87 KCNH2 (0.43) CHRM3KCNH2CCR5L3MBTL1CHRM2
SCHEMBL6003211 0.87 HRH1 (0.39) KCNH2CCR5L3MBTL1HTR1ADRD4
SCHEMBL1618052 0.84 KCNH2 (0.48) KCNH2HRH1HRH2HRH3MEN1
SCHEMBL1619268 0.83 KCNH2 (0.51) KCNH2HRH1HRH2HRH3MEN1
SCHEMBL4126369 0.81 KCNH2 (0.42) KCNH2HRH1ARHRH2MEN1
SCHEMBL1618245 0.81 KCNH2 (0.38) KCNH2CCR5HRH1HRH2HRH3
SCHEMBL4512005 0.81 KCNH2 (0.36) CHRM3KCNH2CCR5CHRM2CHRM1

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-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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 (1 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E CHRM3 364/4885KCNH2 6/4885GBA1 1898/4885

“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.