SCHEMBL4133311

SCHEMBL4133311

N#Cc1ccc(OCCCN2CC3CN(CCNC(=O)O)CC(C2)O3)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 5/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4127866 0.97 KCNH2 (0.47) KCNH2MEN1KMT2ADRD3DRD2
SCHEMBL4133154 0.95 KCNH2 (0.43) KCNH2DRD3DRD2KDM4EALDH1A1
SCHEMBL4133463 0.90 KCNH2 (0.54) KCNH2DRD3DRD2KDM4EHRH2
SCHEMBL4133190 0.89 KCNH2 (0.46) KCNH2DRD3DRD2HTR2AKDM4E
SCHEMBL4130153 0.88 KCNH2 (0.51) KCNH2DRD3DRD2HTR2AKDM4E
SCHEMBL4137801 0.86 KCNH2 (0.59) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL4134395 0.85 KCNH2 (0.49) KCNH2DRD3DRD2HTR2AKDM4E
SCHEMBL1619391 0.85 KCNH2 (0.48) KCNH2KDM4EHRH3ALDH1A1HTT
SCHEMBL3598224 0.84 KCNH2 (0.57) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL4140849 0.83 KCNH2 (0.56) KCNH2MEN1HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
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 KCNH2 6/4885MEN1 1955/4885KMT2A 3978/4885

“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.