SCHEMBL18281138

SCHEMBL18281138

CC(C)N1CCN(C(=O)c2cnco2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
HRH3 Q9Y5N1 15/20 0.46
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL21584775 0.83 CHRNA4 (0.54) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL22874982 0.79 CHRNA4 (0.51) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL20935043 0.76 CHRNA4 (0.48) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL20152893 0.75 RIPK1 (0.55) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL14443021 0.74 ALDH1A1 (0.68)
SCHEMBL18255212 0.73 RIPK1 (0.59) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL28473078 0.72 CHRNA4 (0.52) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL20138338 0.71 RIPK1 (0.52) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL21062061 0.71 CHRNA4 (0.62) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL21095630 0.71 CHRNA4 (0.62) CHRNA4CHRNA7CHRNB2CHRNB4CHRNA3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115417-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-22 US claimed
EP-3724324-A1 CARBOXYESTERASE BIOCATALYSTS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP claimed
WO-2019116311-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO claimed
US-12331327-B2 Carboxyesterase biocatalysts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-06-17 US disclosed
EP-3724324-B1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-01-29 EP disclosed
EP-4471137-A2 CARBOXYESTERASE BIOCATALYSTS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2024-12-04 EP disclosed
US-20230193227-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-22 US disclosed
US-20230193227-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-22 US disclosed
US-20230193227-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-22 US disclosed
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 US disclosed
US-11535833-B2 Carboxyesterase biocatalysts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-12-27 US disclosed
WO-2018192864-A1 OXEPINOPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3-KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-25 WO disclosed
US-20180155334-A1 NOVEL PROCESSES GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-07 US disclosed
US-20180155334-A1 NOVEL PROCESSES GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-07 US disclosed
US-20180155334-A1 NOVEL PROCESSES GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-07 US disclosed
EP-3303329-A1 PROCESSES TO MAKE INDAZOLE DERIVATIVES GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-11 EP disclosed
WO-2018029126-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-15 WO disclosed
WO-2018029126-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-15 WO disclosed
WO-2016193255-A1 PROCESSES TO MAKE INDAZOLE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-08 WO disclosed
WO-2016193255-A1 PROCESSES TO MAKE INDAZOLE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-08 WO 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-20180155334-A1 NOVEL PROCESSES CYP4A11, CYP4F11, CYP4F3 CHRNA4 2633/4885CHRNA7 4460/4885CHRNB2 3933/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 CHRNA4 1135/4885CHRNA7 1113/4885CHRNB2 1546/4885

“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.