SCHEMBL4130153

SCHEMBL4130153

N#Cc1ccc(OCCCN2CC3CN(CCCNC(=O)O)CC(C2)O3)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
HRH3 Q9Y5N1 2/20 0.45
USP30 Q70CQ3 1/20 0.40
CCR5 P51681 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
CCR3 P51677 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
HTR2A P28223 3/20 0.37
SMYD2 Q9NRG4 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4134395 0.97 KCNH2 (0.49) KCNH2HRH3USP30CCR5DRD2
SCHEMBL4133463 0.96 KCNH2 (0.54) KCNH2HRH3USP30CCR5DRD2
SCHEMBL1619391 0.91 KCNH2 (0.48) KCNH2HRH3USP30KDM4EALDH1A1
SCHEMBL4127866 0.90 KCNH2 (0.47) KCNH2HRH3DRD2DRD3CCR3
SCHEMBL4133190 0.90 KCNH2 (0.46) KCNH2HRH3CCR5DRD2DRD3
SCHEMBL4669350 0.89 KCNH2 (0.49) KCNH2HRH3USP30KDM4EHRH2
SCHEMBL4133311 0.88 KCNH2 (0.48) KCNH2HRH3DRD2DRD3KDM4E
SCHEMBL4133428 0.87 KCNH2 (0.49) KCNH2HRH3CCR5DRD2DRD3
SCHEMBL4261259 0.85 KCNH2 (0.47) KCNH2HRH3DRD2
SCHEMBL3130818 0.85 KCNH2 (0.45) KCNH2HRH3USP30CCR5DRD2

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 6 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
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO 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 6/4885HRH3 448/4885USP30 3818/4885

“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.