SCHEMBL4498529

SCHEMBL4498529

CN(C)C(=O)N(CCO)CCCc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 3/20 0.41
SIGMAR1 Q99720 2/20 0.39
NSD2 O96028 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP2A6 P11509 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
KDM1A O60341 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HTT P42858 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 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
SCHEMBL4512591 0.84 TSHR (0.40) TSHRHSD17B10CYP19A1SIGMAR1NSD2
SCHEMBL4511731 0.83 CYP19A1 (0.43) TSHRHSD17B10CYP19A1MMP12MMP13
SCHEMBL4509219 0.80 MMP2 (0.53) CYP19A1MMP13
SCHEMBL8010118 0.75 TSHR (0.54) TSHRHSD17B10CYP19A1SIGMAR1CYP2A6
SCHEMBL5338091 0.74 KMT2A (0.45) TSHRHSD17B10SIGMAR1NSD2CYP2A6
SCHEMBL20597769 0.73 SNCA (0.51) SIGMAR1NSD2CYP2A6SAE1UBA2
SCHEMBL27689063 0.73 TDP1 (0.51) SIGMAR1
SCHEMBL81846 0.73 TSHR (0.55) TSHRHSD17B10CYP19A1CYP2A6MMP12
SCHEMBL2959480 0.71 TSHR (0.58) TSHRHSD17B10CYP19A1CYP2A6MMP12
SCHEMBL1526065 0.71 MAPT (0.43) TSHR

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 TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E TSHR 1565/4885HSD17B10 2992/4885CYP19A1 1988/4885

“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.