SCHEMBL780271

SCHEMBL780271

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(CO)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 2/20 0.41
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
KAT7 O95251 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 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
SCHEMBL18850 1.00 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1184434 1.00 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL22168000 0.93 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL22168285 0.93 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16931340 0.91 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20541079 0.91 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31297386 0.91 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL30111484 0.91 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1944901 0.91 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL28942832 0.91 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349711-B Synthesis method of (R) -1-Boc-3-hydroxymethyl piperazine 四川依维欣医药科技有限公司 2023-08-15 CN claimed
CN-114349711-A Synthesis method of (R) -1-Boc-3-hydroxymethyl piperazine 四川恒康科技发展有限公司 2022-04-15 CN claimed
CN-118184657-A PARP7 inhibitor and preparation method and application thereof 成都先导药物开发股份有限公司 2024-06-14 CN disclosed
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-11-02 US disclosed
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-11-02 US disclosed
CN-114349711-B Synthesis method of (R) -1-Boc-3-hydroxymethyl piperazine 四川依维欣医药科技有限公司 2023-08-15 CN disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
WO-2022096361-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-12 WO disclosed
EP-3992191-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS Deutsches Krebsforschungszentrum (DE) 2022-05-04 EP disclosed
CN-114349711-A Synthesis method of (R) -1-Boc-3-hydroxymethyl piperazine 四川恒康科技发展有限公司 2022-04-15 CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
WO-2002012185-A1 PROCESS FOR PREPARING 2,3-DIAMINOPROPANOLS AND SYNTHESIS OF OTHER COMPOUNDS USING 2,3-DIAMINOPROPANOLS CHEMBIONEX CO., LTD. (KR) 2002-02-14 WO disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-0495750-A2 Heterocyclic hydroxylamine CIBA-GEIGY AG (CH) 1992-07-22 EP 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 NR1H2 952/4885MEN1 3419/4885ALDH1A1 112/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 NR1H2 1095/4885MEN1 2216/4885ALDH1A1 1316/4885
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 NR1H2 2104/4885MEN1 2251/4885ALDH1A1 4047/4885

“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.