SCHEMBL14552452

SCHEMBL14552452

CC(C)Cc1ccn(C2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
PSMB8 P28062 3/20 0.32
PSMB9 P28065 3/20 0.32
PSMB5 P28074 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
WDR5 P61964 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL21471126 0.93 HDAC1 (0.34) KCNH2SIGMAR1HDAC1HDAC6TP53
SCHEMBL14553997 0.81 SIGMAR1 (0.40) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL20244826 0.79 SIGMAR1 (0.42) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL22681215 0.79 KCNH2 (0.33) KCNH2HDAC1HDAC6
SCHEMBL18290465 0.78 SIGMAR1 (0.38) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL31389736 0.77 SIGMAR1 (0.43) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL17493993 0.77 KCNH2 (0.40) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL15120059 0.77 SIGMAR1 (0.37) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL31389771 0.75 SIGMAR1 (0.38) KCNH2SIGMAR1HDAC1HDAC6WDR5
SCHEMBL27362341 0.74 SIGMAR1 (0.39) KCNH2SIGMAR1HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 US disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160347744-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-01 US disclosed
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-04-07 US disclosed
US-9193694-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-11-24 US disclosed
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-05-15 US disclosed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 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 (5 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 KCNH2 5/4885SIGMAR1 2730/4885PSMB8 3593/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 KCNH2 5/4885SIGMAR1 2730/4885PSMB8 3593/4885
US-20160347744-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 KCNH2 5/4885SIGMAR1 2730/4885PSMB8 3593/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 KCNH2 5/4885SIGMAR1 2730/4885PSMB8 3593/4885
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 KCNH2 5/4885SIGMAR1 2730/4885PSMB8 3593/4885

“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.