SCHEMBL6024437

SCHEMBL6024437

COC(=O)C=C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
ADORA1 P30542 2/20 0.45
NR1H2 P55055 2/20 0.45
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GRAMD1A Q96CP6 1/20 0.37
EPHX1 P07099 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL6024434 1.00 ESR2 (0.46) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL9910665 1.00 ESR2 (0.46) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL20660348 0.92 NR1H2 (0.42) ESR2ADORA1NR1H2MAPTUSP2
SCHEMBL19342171 0.92 NR1H2 (0.42) ESR2ADORA1NR1H2MAPTUSP2
SCHEMBL106354 0.91 USP2 (0.46) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL428501 0.88 HDAC1 (0.44) ESR2NR1H2MAPTKDM4EUSP2
SCHEMBL3947745 0.86 HPGD (0.43) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL3947744 0.86 HPGD (0.43) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL4279524 0.85 ADORA1 (0.50) ESR2ADORA1NR1H2MAPTKDM4E
SCHEMBL4279527 0.85 ADORA1 (0.50) ESR2ADORA1NR1H2MAPTKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337280-A Aryl heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2024-01-02 CN disclosed
CN-109790112-B Cyanopyrrolidine derivatives having activity as USP30 inhibitors 特殊治疗有限公司 2022-08-26 CN disclosed
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 EP disclosed
EP-3519385-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 Mission Therapeutics Limited (GB) 2019-08-07 EP disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
US-9814719-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2017-11-14 US disclosed
US-20170056405-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION THE CURATORS OF THE UNIVERSITY OF MISSOURI 2017-03-02 US disclosed
US-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 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 (3 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-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 ESR2 3952/4885ADORA1 4333/4885NR1H2 3758/4885
US-20170056405-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION MMP8, RHOA, EPCAM ESR2 3908/4885ADORA1 3510/4885NR1H2 4032/4885
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP2, MMP1, MMP9 ESR2 1834/4885ADORA1 1729/4885NR1H2 986/4885

“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.