SCHEMBL1320359

SCHEMBL1320359

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
GPR139 Q6DWJ6 2/20 0.43
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
GSK3B P49841 1/20 0.39
GRK6 P43250 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
LIPE Q05469 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SCN5A Q14524 3/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL1322632 0.91 GPR139 (0.42) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1318535 0.89 KCNQ3 (0.50) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1321281 0.89 GPR139 (0.40) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1321296 0.86 GPR139 (0.44) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1320899 0.86 GPR139 (0.42) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1320932 0.86 MCHR1 (0.52) MCHR1GPR139GRK6TP53SMN1; SMN2
SCHEMBL1322618 0.86 GPR139 (0.43) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1321221 0.85 GPR139 (0.43) MCHR1GPR139KCNQ3KCNQ2GSK3B
SCHEMBL1321122 0.85 NLRP3 (0.43) MCHR1GPR139EPHX2SMN1; SMN2MEN1
SCHEMBL1320499 0.84 GPR139 (0.47) MCHR1GPR139KCNQ3KCNQ2GSK3B

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 8 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
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US 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 MCHR1 1993/4885GPR139 965/4885KCNQ3 29/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MCHR1 2004/4885GPR139 1384/4885KCNQ3 23/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MCHR1 2004/4885GPR139 1384/4885KCNQ3 23/4885

“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.