SCHEMBL1619458

SCHEMBL1619458

N#Cc1ccc(CN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
KCNH2 Q12809 2/20 0.45
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
PRKAA2 P54646 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
CHRM4 P08173 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4125747 0.91 KCNH2 (0.48) FAAHKCNH2CD274PKMDRD2
SCHEMBL5316471 0.89 CD274 (0.56) KCNH2DPP4DPP8PRKAA2CD274
SCHEMBL2967590 0.88 KCNH2 (0.44) KCNH2CD274DRD2DRD3
SCHEMBL5318392 0.86 CD274 (0.58) KCNH2DPP4CD274CHRM4CYP2C19
SCHEMBL5314521 0.86 POLB (0.46) KCNH2CD274ALDH1A1HSD17B10DRD2
SCHEMBL4668152 0.86 KCNH2 (0.44) KCNH2CD274PKMALDH1A1DRD2
SCHEMBL5072489 0.85 SIGMAR1 (0.47) FAAHMEN1CYP2C9TSHRKMT2A
SCHEMBL4669235 0.85 KCNH2 (0.44) KCNH2CD274ALDH1A1DRD2DRD3
SCHEMBL4134193 0.84 KCNH2 (0.53) KCNH2CD274ALDH1A1MEN1
SCHEMBL5314456 0.84 EPHX2 (0.52) PRKAA2CD274CHRM4CYP2C19CYP2C9

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 8 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-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E FAAH 3621/4885KCNH2 8/4885DPP4 4459/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E FAAH 4370/4885KCNH2 6/4885DPP4 4015/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E FAAH 3621/4885KCNH2 8/4885DPP4 4459/4885

“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.