SCHEMBL5041300

SCHEMBL5041300

CN1CCCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR2 Q92731 1/20 0.43
NR1H2 P55055 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.41
CTSK P43235 1/20 0.40
ADORA1 P30542 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL1968373 0.90 USP2 (0.46) MEN1KMT2AUSP2SMN1; SMN2ESR2
SCHEMBL17405125 0.85 MEN1 (0.47) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL29136746 0.81 USP2 (0.43) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL861278 0.78 USP2 (0.64) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL25422301 0.78 USP2 (0.47) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL84344 0.78 USP2 (0.46) HPGDUSP2SMN1; SMN2ESR2NR1H2
SCHEMBL3075546 0.77 HPGD (0.48) MEN1KMT2AHPGDMAPTEPHX1
SCHEMBL13160 0.77 ESR2 (0.48) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL13244889 0.77 USP2 (0.46) MEN1KMT2AHPGDUSP2SMN1; SMN2
Iodide SCHEMBL15174787 0.77 USP2 (0.62) MEN1KMT2AHPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555082-B1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-26 EP disclosed
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-01-06 US disclosed
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-01-06 US disclosed
US-11059816-B2 Ether linked triazoles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-13 US disclosed
EP-3555068-B1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-02 EP disclosed
EP-3555068-B1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-02 EP disclosed
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-05 US disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-3555068-A1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 US disclosed
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 US disclosed
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 US disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 WO disclosed
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
EP-1556362-A4 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-08-23 EP disclosed
EP-1556362-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-07-27 EP disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 US disclosed
WO-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 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 (7 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-11059816-B2 Ether linked triazoles as NRF2 activators NFE2L2, KEAP1, NQO1 MEN1 4549/4885KMT2A 1072/4885HPGD 276/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885HPGD 171/4885
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MEN1 3999/4885KMT2A 3126/4885HPGD 540/4885
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 MEN1 4549/4885KMT2A 1072/4885HPGD 276/4885
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885HPGD 171/4885
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 MEN1 3760/4885KMT2A 1729/4885HPGD 274/4885
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885HPGD 171/4885

“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.