SCHEMBL2184286

SCHEMBL2184286

CC[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 1/20 0.37
BTK Q06187 1/20 0.37
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL8559743 1.00 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL2182196 1.00 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL8559648 1.00 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL8559748 1.00 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL8564507 1.00 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL2182132 0.89 ALDH1A1 (0.42) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL7809493 0.88 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL21725322 0.88 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL19098269 0.88 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2
SCHEMBL19098270 0.88 GAA (0.39) GAAEPHX1MAOAMAOBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631557-B JAK kinase inhibitor, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-03-15 CN disclosed
CN-109535164-B JAK kinase inhibitor, preparation method thereof and application thereof in medical field 上海华汇拓医药科技有限公司 2022-01-18 CN disclosed
CN-113631557-A JAK kinase inhibitor, preparation method thereof and application thereof in medical field 上海华汇拓医药科技有限公司 2021-11-09 CN disclosed
WO-2019057103-A1 JAK INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION IN THE FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2019-03-28 WO disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-5859026-A ADMINISTERING AS AN ANTIBACTERIAL AGENT HOKURIKU SEIYAKU CO., LTD. (JP) 1999-01-12 US disclosed
US-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
WO-1998022437-A1 PROCESS FOR PREPARATION OF CHIRAL 3-AMINOPYRROLIDINE AND ANALOGOUS BICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-05-28 WO disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 US disclosed
EP-0806421-A1 QUINOLINECARBOXYLIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 1997-11-12 EP disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 GAA 490/4885EPHX1 3136/4885MAOA 4327/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL GAA 604/4885EPHX1 3183/4885MAOA 4119/4885

“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.