SCHEMBL938561

SCHEMBL938561

N#CC1(c2ccc(-c3ccc4nnc(C(F)(F)F)n4c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
SCN5A Q14524 13/20 0.59
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR5A P47898 1/20 0.36
AR P10275 1/20 0.35
KCNH2 Q12809 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
SCHEMBL938060 0.95 CYP1A2 (0.60) CYP1A2SCN5ASCN1ASCN2ASLC6A2
SCHEMBL938554 0.92 CYP1A2 (0.56) CYP1A2SCN5ASCN1ASCN2ASLC6A2
SCHEMBL938021 0.87 SCN5A (0.58) CYP1A2SCN5ASCN1ASCN2ASLC6A2
SCHEMBL20203933 0.83 CYP1A2 (0.64) CYP1A2SCN5ASCN1ASCN2ASLC6A2
SCHEMBL20209245 0.81 CYP1A2 (0.51) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL20203847 0.80 CYP1A2 (0.59) CYP1A2SCN5ASCN1ASCN2ASLC6A2
SCHEMBL20208533 0.79 SCN5A (0.55) CYP1A2SCN5A
SCHEMBL20203836 0.79 CYP1A2 (1.00) CYP1A2SCN5AARKCNH2
SCHEMBL20209244 0.79 SCN5A (0.55) CYP1A2SCN5A
SCHEMBL936859 0.79 SCN5A (0.68) SCN5ASCN1ASCN2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP claimed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
US-8754103-B2 2014-06-17 US claimed
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885SCN1A 55/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP1A2 1580/4885SCN5A 52/4885SCN1A 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.