SCHEMBL1100567

SCHEMBL1100567

[CH]1COc2cnccc2O1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL2478207 0.73 CYP11B1 (0.48) CHRNB4CHRNA3
SCHEMBL31001734 0.73 CYP11B1 (0.48) CHRNB4CHRNA3
SCHEMBL1157101 0.73
SCHEMBL11486733 0.70 SIGMAR1 (0.31) SIGMAR1CHRNB4CHRNA3
SCHEMBL4538757 0.70
SCHEMBL19075927 0.70 CYP11B1 (0.42) SIGMAR1CHRNB4CHRNA3
SCHEMBL4254737 0.69 STS (0.35) SIGMAR1CHRNB2CHRNA4
SCHEMBL31065699 0.69 STS (0.38) SIGMAR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1653598 0.69 AOC1 (0.31) SIGMAR1
SCHEMBL2655460 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US claimed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO claimed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US claimed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US claimed
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed
US-10604536-B2 Substituted cyclopropanes as PDE-10 inhibitors Sunovion Pharamaceuticals Inc. (US) 2020-03-31 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
EP-2861596-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-03-20 EP disclosed
US-20180258104-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharamaceuticals Inc. 2018-09-13 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-9994590-B2 Substituted [1,2,4]triazolo[1,5-a]pyrazines as phosphodiesterase inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-05 US disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012110986-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-23 WO disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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 (8 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP SIGMAR1 3495/4885CHRNB4 91/4885CHRNA3 139/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP SIGMAR1 3495/4885CHRNB4 91/4885CHRNA3 139/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SIGMAR1 85/4885CHRNB4 365/4885CHRNA3 214/4885
US-20240043435-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B SIGMAR1 4773/4885CHRNB4 3818/4885CHRNA3 3264/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR SIGMAR1 2915/4885CHRNB4 988/4885CHRNA3 807/4885
US-20180258104-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN SIGMAR1 1481/4885CHRNB4 2583/4885CHRNA3 739/4885
US-10604536-B2 Substituted cyclopropanes as PDE-10 inhibitors PDE10A, PDE2A, PDE3A SIGMAR1 4129/4885CHRNB4 790/4885CHRNA3 615/4885
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY1R SIGMAR1 104/4885CHRNB4 353/4885CHRNA3 145/4885

“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.