SCHEMBL1319161

SCHEMBL1319161

CC(C)(C)OCCC(=O)Nc1nc2ccc(F)cn2c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.38
TRPA1 O75762 2/20 0.38
NAMPT P43490 1/20 0.37
FYN P06241 1/20 0.37
ATM Q13315 1/20 0.36
PIM1 P11309 7/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
HASPIN Q8TF76 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DHODH Q02127 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
MCHR1 Q99705 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL1320624 0.91 GPR139 (0.40) GPR139TRPA1NAMPTFYNATM
SCHEMBL1322632 0.90 GPR139 (0.42) GPR139MCHR1
SCHEMBL1319598 0.89 NAMPT (0.40) GPR139TRPA1NAMPTFYNATM
SCHEMBL1319659 0.88 TRPA1 (0.39) GPR139TRPA1
SCHEMBL1322175 0.88 KCNQ3 (0.43) GPR139TRPA1NAMPTFYNATM
SCHEMBL1319930 0.86 NAMPT (0.40) GPR139TRPA1NAMPTFYNATM
SCHEMBL1322273 0.85 PIM1 (0.43) NAMPTPIM1
SCHEMBL1319746 0.84 P2RY14 (0.44) GPR139TRPA1NAMPTATM
SCHEMBL1319608 0.84 GPR139 (0.42) GPR139TRPA1NAMPTFYNATM
SCHEMBL1319890 0.83 USP30 (0.44) NAMPTPIM1

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 965/4885TRPA1 107/4885NAMPT 1973/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885TRPA1 83/4885NAMPT 1559/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885TRPA1 83/4885NAMPT 1559/4885

“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.