SCHEMBL10150944

SCHEMBL10150944

CCc1cccc(N(C)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.46

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
SCHEMBL13155100 0.85 SIGMAR1 (0.44) SIGMAR1
SCHEMBL9446187 0.85 SIGMAR1 (0.48) SIGMAR1
SCHEMBL10121263 0.83 GABRA1 (0.38) SIGMAR1
SCHEMBL15014089 0.83 S1PR1 (0.44) SIGMAR1
SCHEMBL28106766 0.82 NPC1 (0.44) SIGMAR1
SCHEMBL19009082 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL11732115 0.81 SIGMAR1 (0.41) SIGMAR1
SCHEMBL22388176 0.80 OPRM1 (0.46) SIGMAR1
SCHEMBL11787169 0.80 SIGMAR1 (0.47) SIGMAR1
SCHEMBL129446 0.79 SIGMAR1 (0.51) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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 (4 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 SIGMAR1 3243/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SIGMAR1 857/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 SIGMAR1 4571/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 SIGMAR1 3243/4885

“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.