SCHEMBL4512805

SCHEMBL4512805

CN(C)C(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3ccc(OC(F)F)cc3)CC(C1)O2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR1 P21453 7/20 0.37
S1PR5 Q9H228 6/20 0.37
HRH3 Q9Y5N1 4/20 0.37
SLC6A4 P31645 1/20 0.37
GPR6 P46095 1/20 0.36
MMP2 P08253 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
S1PR3 Q99500 4/20 0.35
MMP3 P08254 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL4505017 0.93 KCNH2 (0.42) KCNH2S1PR1S1PR5HRH3MMP2
SCHEMBL4510385 0.91 KCNH2 (0.46) KCNH2S1PR1S1PR5MMP2DPP4
SCHEMBL4508044 0.89 KCNH2 (0.41) KCNH2MEN1S1PR1S1PR5HRH3
SCHEMBL4516175 0.86 KCNH2 (0.42) KCNH2HRH3MMP2MMP3HRH2
SCHEMBL4508497 0.84 KCNH2 (0.42) KCNH2MEN1KMT2AS1PR1S1PR5
SCHEMBL5314444 0.83 NSD2 (0.41) KCNH2MEN1KMT2AGPR6DPP4
SCHEMBL4512066 0.82 KCNH2 (0.41) KCNH2MEN1S1PR1HRH3MMP2
SCHEMBL4520264 0.82 HRH2 (0.46) KCNH2HRH3SLC6A4MMP2MMP3
SCHEMBL4516248 0.82 HRH1 (0.45) KCNH2MEN1HRH3HRH2HRH1
SCHEMBL4524719 0.80 GPR119 (0.42) KCNH2HRH3MMP2MMP3HRH2

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 11 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 claimed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US claimed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US claimed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 US claimed
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 KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MEN1 2565/4885KMT2A 3861/4885

“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.