SCHEMBL1320339

SCHEMBL1320339

CC(=O)OCC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MCHR1 Q99705 2/20 0.40
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GSK3B P49841 1/20 0.35
GRK6 P43250 1/20 0.34
USP7 Q93009 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
RIPK1 Q13546 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL1321432 0.90 GPR139 (0.38) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1322618 0.89 GPR139 (0.43) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1318535 0.88 KCNQ3 (0.50) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321296 0.86 GPR139 (0.44) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1320899 0.84 GPR139 (0.42) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1320359 0.83 MCHR1 (0.46) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321221 0.82 GPR139 (0.43) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1322632 0.81 GPR139 (0.42) GPR139KCNQ3KCNQ2MCHR1ALOX5
SCHEMBL1321122 0.81 NLRP3 (0.43) GPR139MCHR1EPHX2SMN1; SMN2
SCHEMBL1320499 0.80 GPR139 (0.47) GPR139KCNQ3KCNQ2MCHR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (3 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 GPR139 965/4885KCNQ3 29/4885KCNQ2 7/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885KCNQ3 23/4885KCNQ2 7/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885KCNQ3 23/4885KCNQ2 7/4885

“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.