SCHEMBL4512137

SCHEMBL4512137

CN(C)C(=O)N(CC=O)CCOc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.52
MMP3 P08254 5/20 0.52
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP19A1 P11511 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PPARG P37231 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL4509219 0.84 MMP2 (0.53) MMP2MMP3ALDH1A1MAPTMMP1
SCHEMBL4512591 0.81 TSHR (0.40) MMP13HRH3CYP19A1HRH1
SCHEMBL21595642 0.74 MMP2 (0.67) MMP2MMP3ALDH1A1MAPTMMP1
SCHEMBL4520264 0.73 HRH2 (0.46) MMP2MMP3ALDH1A1MAPTHRH3
SCHEMBL4087894 0.72 HRH3 (0.59) MMP2MMP3ALDH1A1MAPTHRH3
SCHEMBL12461386 0.70 MMP2 (0.50) MMP2MMP3ALDH1A1MAPTHRH3
SCHEMBL4498438 0.70 MMP2 (0.63) MMP2MMP3ALDH1A1MAPTMMP1
SCHEMBL4508086 0.70 MMP2 (0.55) MMP2MMP3ALDH1A1MAPTMMP1
SCHEMBL2460732 0.69 MMP2 (0.58) MMP2MMP3ALDH1A1MAPTMMP1
SCHEMBL6261290 0.69 MMP2 (1.00) MMP2MMP3ALDH1A1MAPTMMP1

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 9 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
EP-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-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 (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 MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885MMP3 4705/4885ALDH1A1 445/4885

“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.