SCHEMBL4516189

SCHEMBL4516189

CN(C)C(=O)N(CCCc1ccc(C#N)cc1)CCN1CC2CNCC(C1)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MLNR O43193 1/20 0.35
KCNH2 Q12809 2/20 0.35
KCNJ1 P48048 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
OPRM1 P35372 1/20 0.35
KDM1A O60341 2/20 0.34
CCR5 P51681 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
CYP19A1 P11511 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL4520264 0.86 HRH2 (0.46) HRH1HRH2HRH3KCNH2
SCHEMBL4505273 0.84 HRH1 (0.37) HRH1HRH2HRH3KCNH2KCNJ1
SCHEMBL4516571 0.84 GPR119 (0.40) HRH1HRH2KCNH2HTR1ADRD4
Hydrochloric Acid SCHEMBL4521680 0.83 KCNH2 (0.36) HRH1HRH2HRH3KCNH2KCNJ1
SCHEMBL4516175 0.81 KCNH2 (0.42) HRH1HRH2HRH3KCNH2KCNJ1
SCHEMBL2961476 0.80 HRH3 (0.47) HRH1HRH2HRH3KCNH2KCNJ1
SCHEMBL4516248 0.78 HRH1 (0.45) HRH1HRH2HRH3KCNH2HTR1A
SCHEMBL5316232 0.78 NSD2 (0.42) HRH1HRH2HRH3KCNH2KDM1A
SCHEMBL4505017 0.77 KCNH2 (0.42) HRH1HRH2HRH3KCNH2
SCHEMBL4512066 0.77 KCNH2 (0.41) HRH1HRH2HRH3KCNH2HTR1A

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 7 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 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 HRH1 561/4885HRH2 583/4885HRH3 452/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HRH2 583/4885HRH3 452/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HRH2 583/4885HRH3 452/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HRH2 583/4885HRH3 452/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HRH2 583/4885HRH3 452/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HRH2 583/4885HRH3 452/4885

“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.