SCHEMBL3486477

SCHEMBL3486477

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
PTPN1 P18031 1/20 0.35
PDE4B Q07343 1/20 0.34
CCR2 P41597 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4305518 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL15233400 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL14451046 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL16847037 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL13689099 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL16843376 1.00 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL4301779 0.87 NR1H2 (0.31) NR1H2EPHX2CHRM2CHRM1CHRM3
SCHEMBL30484748 0.87 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BCCR2
SCHEMBL4308133 0.87 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4311042 0.87 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117049999-A Preparation method of Nemactetvir intermediate 重庆博腾制药科技股份有限公司 2023-11-14 CN claimed
EP-4587433-A1 3-(1H-INDOLE-2-CARBONYL)-6,6-DIMETHYL-N-((S)-1-OXO-3-((S)-2-OXOPYRROLIDIN-3-YL)P ROPAN-2-YL)-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE DERIVATIVES AS MPRO INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS Takeda Pharmaceutical Company Limited (JP) 2025-07-23 EP disclosed
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 US disclosed
EP-4516301-A2 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2025-03-05 EP disclosed
EP-4166539-B1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS PFIZER (US) 2024-10-09 EP disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 CN disclosed
WO-2024059087-A1 3-(1H-INDOLE-2-CARBONYL)-6,6-DIMETHYL-N-((S)-1-OXO-3-((S)-2-OXOPYRROLIDIN-3-YL)P ROPAN-2-YL)-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE DERIVATIVES AS MPRO INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
CN-117049999-A Preparation method of Nemactetvir intermediate 重庆博腾制药科技股份有限公司 2023-11-14 CN disclosed
CN-117049999-A Preparation method of Nemactetvir intermediate 重庆博腾制药科技股份有限公司 2023-11-14 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130666-A2 MEDICAMENTS AND METHODS COMBINING A HCV PROTEASE INHIBITOR AND AN AKR COMPETITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005085197-A1 CYCLOBUTENEDIONE GROUPS-CONTAINING COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-15 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 (1 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-20250099424-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 NR1H2 1773/4885NR1H3 1732/4885PTPN1 1925/4885

“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.