SCHEMBL4512591

SCHEMBL4512591

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 5/20 0.40
NSD2 O96028 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL4498529 0.84 TSHR (0.42) TSHRHSD17B10CYP19A1NSD2PDK1
SCHEMBL4512137 0.81 MMP2 (0.52) CYP19A1HRH1MMP13HRH3
SCHEMBL5317107 0.74 KMT2A (0.44) TSHRHSD17B10NSD2KCNJ1KCNH2
SCHEMBL8010118 0.73 TSHR (0.54) TSHRHSD17B10CYP19A1KCNJ1KCNH2
SCHEMBL4864848 0.70 TSHR (0.50) TSHRHSD17B10CYP19A1KCNJ1KCNH2
SCHEMBL4511731 0.70 CYP19A1 (0.43) TSHRHSD17B10CYP19A1KCNJ1KCNH2
SCHEMBL29956555 0.69 CYP2A6 (0.39) NSD2KMT2ALMNACYP2A6
SCHEMBL2260049 0.69 TSHR (0.53) TSHRHSD17B10CYP19A1KCNJ1KCNH2
SCHEMBL21998217 0.68 PPARA (0.41) TSHRHSD17B10CYP19A1NSD2HTR1A
SCHEMBL18633865 0.68 SNCA (0.43) NSD2MEN1NPC1KMT2A

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 7 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

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.