SCHEMBL5969996

SCHEMBL5969996

CC(C)(C)OC(=O)NCCN1CC2CN(CCCCc3ccncc3)CC(C1)O2.N#Cc1ccc(OCCN2CC3CN(CCCCc4ccncc4)CC(C2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
SIGMAR1 Q99720 2/20 0.38
HRH1 P35367 7/20 0.38
HRH2 P25021 6/20 0.38
HRH3 Q9Y5N1 3/20 0.38
BRD4 O60885 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL3423966 0.89 SIGMAR1 (0.45) KCNH2CCNCCDK8CA1CA2
SCHEMBL2954489 0.89 KCNH2 (0.51) KCNH2CA12CA1CA2CA9
SCHEMBL2964384 0.88 KCNH2 (0.56) KCNH2CA12CA1CA2CA9
SCHEMBL6150660 0.88 SIGMAR1 (0.47) CA1CA2SIGMAR1
SCHEMBL3128796 0.87 KCNH2 (0.51) KCNH2CCNCCDK8CA12CA1
SCHEMBL2963406 0.85 HRH3 (0.49) KCNH2HRH1HRH2HRH3
SCHEMBL3129914 0.84 KCNH2 (0.54) KCNH2CA12CA1CA2CA9
SCHEMBL3126044 0.78 KCNH2 (0.45) KCNH2CCNCCDK8HRH3
SCHEMBL4128200 0.78 CA12 (0.50) KCNH2CA12CA1CA2CA9
SCHEMBL1618250 0.77 DRD2 (0.45) KCNH2CCNCCDK8SIGMAR1PRKAA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1503782-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
EP-1503783-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
WO-2003092720-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND ANTI-ARRHYTHMIC OXABISPIDENES ASTRAZENECA AB (SE) 2003-11-13 WO disclosed
WO-2003092721-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES ASTRAZENECA AB (SE) 2003-11-13 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 (2 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-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 KCNH2 847/4885CCNC 323/4885CDK8 830/4885
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A KCNH2 47/4885CCNC 481/4885CDK8 526/4885

“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.