SCHEMBL13301353

SCHEMBL13301353

CC(C)(C)COc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.56
CHRNA4 P43681 5/20 0.56
P4HTM Q9NXG6 1/20 0.49
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 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
SCHEMBL27585110 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL32685326 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL19223918 0.84 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL12251031 0.82 CYP19A1 (0.54) CHRNB2P4HTMCHRNA3
SCHEMBL12667879 0.81 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL29656789 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL6750074 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL16115213 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL29583143 0.78
SCHEMBL434891 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 US disclosed
WO-2021222308-A1 SSAO INHIBITORS FOR THE TREATMENT OF DISEASE METACRINE, INC. (US) 2021-11-04 WO disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 US disclosed
US-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed
US-9957238-B2 Arylalkyl-and aryloxyalkyl-substituted epithelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2017-10-26 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-20150166488-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPTHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2015-06-18 US disclosed
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2015-06-18 US disclosed
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8952180-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-10 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 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 (11 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-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, PNLIP CHRNB2 4366/4885CHRNA4 4115/4885P4HTM 887/4885
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA CHRNB2 3877/4885CHRNA4 4413/4885P4HTM 830/4885
US-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF LEF1, MLLT3, CRY1 CHRNB2 2936/4885CHRNA4 992/4885P4HTM 1439/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 CHRNB2 4040/4885CHRNA4 4546/4885P4HTM 628/4885
US-20150166488-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPTHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A CHRNB2 376/4885CHRNA4 648/4885P4HTM 1052/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 CHRNB2 2526/4885CHRNA4 3695/4885P4HTM 4344/4885
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL CHRNB2 4524/4885CHRNA4 4398/4885P4HTM 1379/4885
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA CHRNB2 3877/4885CHRNA4 4413/4885P4HTM 830/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A CHRNB2 212/4885CHRNA4 391/4885P4HTM 1034/4885
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 CHRNB2 3226/4885CHRNA4 3870/4885P4HTM 1210/4885
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A CHRNB2 212/4885CHRNA4 391/4885P4HTM 1034/4885

“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.