SCHEMBL2176830

SCHEMBL2176830

COc1c(OCCC(C)c2ccc(F)cc2)c(O)c(NC(=O)C2CC2)c(C)c1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.33
ACACB O00763 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK14 Q16539 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
NPC1 O15118 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
F10 P00742 1/20 0.32
GSK3B P49841 2/20 0.31
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
CDK3 Q00526 2/20 0.31
CDK5 Q00535 2/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL2178762 0.80 KCNA3 (0.35) KCNA3
SCHEMBL3761724 0.79 KCNA3 (0.37) NPC1KCNA3KMT2A
SCHEMBL3762890 0.79 KCNA3 (0.39) MAPTSLC6A2SLC6A4SLC6A3KCNA3
SCHEMBL3754173 0.77 KCNA3 (0.35) KCNA3
SCHEMBL3421337 0.74 ALDH1A1 (0.41) CNR2KMT2A
SCHEMBL2179854 0.73 SMN1; SMN2 (0.36) CNR2KCNA3
SCHEMBL2180886 0.72 KCNA3 (0.34) SLC6A2SLC6A4SLC6A3KCNA3
SCHEMBL3751717 0.72 KCNA3 (0.39) KCNA3KMT2A
SCHEMBL12409069 0.72 KCNA3 (0.40) KCNA3
SCHEMBL3762026 0.71 KCNA3 (0.36) KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 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 (1 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 NPSR1 1373/4885MGLL 4077/4885MAPT 2277/4885

“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.