SCHEMBL14552437

SCHEMBL14552437

CC(C)(C)Cc1nccc(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SORD Q00796 14/20 0.53
CXCR4 P61073 1/20 0.48
HRH4 Q9H3N8 4/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GRM2 Q14416 1/20 0.41

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
SCHEMBL14552678 0.85 SORD (0.50) SORDHRH4HRH3
SCHEMBL15121155 0.82 SORD (0.57) SORDCXCR4HRH4HRH3
SCHEMBL20098856 0.80 SORD (0.59) SORDCXCR4HRH4HRH3
SCHEMBL14554003 0.79 SORD (0.54) SORDCXCR4HRH4
SCHEMBL10565986 0.79 SORD (0.57) SORDCXCR4HRH3
SCHEMBL10567915 0.79 SORD (0.83) SORD
SCHEMBL10564194 0.78 SORD (0.53) SORDCXCR4HRH4
SCHEMBL2616799 0.77 SORD (0.51) SORDCXCR4HRH4
SCHEMBL10566742 0.77 SORD (0.86) SORD
SCHEMBL10569550 0.76 SORD (0.54) SORDCXCR4HRH4HRH3

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 11 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-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 SORD 3757/4885CXCR4 511/4885HRH4 527/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SORD 3757/4885CXCR4 511/4885HRH4 527/4885
US-20160347744-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SORD 3757/4885CXCR4 511/4885HRH4 527/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SORD 3757/4885CXCR4 511/4885HRH4 527/4885
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SORD 3757/4885CXCR4 511/4885HRH4 527/4885

“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.