SCHEMBL1319995

SCHEMBL1319995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.41
MCHR1 Q99705 2/20 0.40
GSK3B P49841 1/20 0.39
ALOX5 P09917 2/20 0.38
EPHX2 P34913 2/20 0.38
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
GRK6 P43250 1/20 0.36
SCN5A Q14524 3/20 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
SCHEMBL1321221 0.95 GPR139 (0.43) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1321296 0.88 GPR139 (0.44) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1321746 0.87 MCHR1 (0.44) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1319958 0.86 KCNQ3 (0.49) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1320582 0.86 GABRA1 (0.41) GSK3BKCNQ3KCNQ2USP7HPGD
SCHEMBL1322632 0.85 GPR139 (0.42) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1318535 0.85 KCNQ3 (0.50) GPR139MCHR1GSK3BALOX5EPHX2
SCHEMBL1321122 0.85 NLRP3 (0.43) GPR139MCHR1EPHX2MEN1KMT2A
SCHEMBL1319598 0.84 NAMPT (0.40) GPR139MCHR1
SCHEMBL1321436 0.83 MCHR1 (0.42) GPR139MCHR1GSK3BALOX5EPHX2

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
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
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US 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 965/4885MCHR1 1993/4885GSK3B 543/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885MCHR1 2004/4885GSK3B 435/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 GPR139 1384/4885MCHR1 2004/4885GSK3B 435/4885

“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.