SCHEMBL317808

SCHEMBL317808

N#Cc1ccccc1OCC(O)Cn1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.48
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
HTR1A P08908 2/20 0.42
HTR7 P34969 1/20 0.42
GPR139 Q6DWJ6 4/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
MAOA P21397 1/20 0.39
HTR2B P41595 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRB3 P13945 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CASR P41180 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3434388 0.87 SCN5A (0.50) SCN5ASCN1ASCN2AGPR139
SCHEMBL253338 0.87 SCN5A (0.52) SCN5ASCN1ASCN2AGPR139KDM4E
SCHEMBL253823 0.87 SCN5A (0.52) SCN5ASCN1ASCN2AGPR139KDM4E
SCHEMBL253347 0.86 SCN5A (0.49) SCN5ASCN1ASCN2AGPR139ADRB2
SCHEMBL252698 0.86 SCN5A (0.54) SCN5ASCN1ASCN2AGPR139
SCHEMBL252457 0.86 SCN5A (0.51) SCN5ASCN1ASCN2AGPR139
SCHEMBL252690 0.84 SCN5A (0.51) SCN5ASCN1ASCN2AGPR139
SCHEMBL252757 0.82 SCN5A (0.53) SCN5ASCN1ASCN2AGPR139
SCHEMBL251358 0.81 SCN5A (0.49) SCN5ASCN1ASCN2AGPR139KDM4E
SCHEMBL252108 0.77 SCN5A (0.52) SCN5ASCN1ASCN2AGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US claimed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US claimed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US claimed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US claimed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 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 (2 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN5A 37/4885SCN1A 43/4885SCN2A 55/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN5A 37/4885SCN1A 43/4885SCN2A 55/4885

“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.