SCHEMBL2177975

SCHEMBL2177975

CC(=O)c1c(OCCN2CCOCC2)c(OCCC(C)c2ccc(F)cc2)c2oc(C3CC3)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 4/20 0.34
HTR2A P28223 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ACACB O00763 1/20 0.33
PRCP P42785 2/20 0.33
PIK3CA P42336 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2179289 0.90 MEN1 (0.39) MEN1KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL12409118 0.89 MEN1 (0.38) MEN1KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL12409122 0.89 MEN1 (0.38) MEN1KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL2177362 0.88 MEN1 (0.37) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL12409161 0.88 SLC6A2 (0.32) SLC6A3SLC6A2SLC6A4ACACBPRCP
SCHEMBL2180015 0.87 SLC6A2 (0.30) SLC6A3SLC6A2SLC6A4
SCHEMBL2180886 0.87 KCNA3 (0.34) SLC6A3SLC6A2SLC6A4
SCHEMBL2177326 0.85 MEN1 (0.39) MEN1KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL2177904 0.84 SLC6A2 (0.31) SLC6A3SLC6A2SLC6A4
SCHEMBL2177803 0.84 SLC6A2 (0.38) MEN1KMT2ASLC6A3SLC6A2SLC6A4

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-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-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
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 MEN1 2922/4885KMT2A 845/4885SLC6A3 650/4885

“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.