SCHEMBL585389

SCHEMBL585389

COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 6/20 0.43
MAPT P10636 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL584834 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL7722108 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1967676 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL18313954 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1975610 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL15151157 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL1975652 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP3A4HSD17B10
SCHEMBL60188 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL14210999 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3ALDH1A1CYP3A4
SCHEMBL18555624 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577258-B2 Macrocyclic compound VERNALIS (R&D) LIMITED (GB) 2026-03-17 US disclosed
US-20250250287-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE SWITZERLAND GMBH (CH) 2025-08-07 US disclosed
US-20250205167-A1 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME SAIL BIOMEDICINES, INC. 2025-06-26 US disclosed
EP-4568973-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene Switzerland GmbH (CH) 2025-06-18 EP disclosed
EP-4223368-B1 MACROCYCLIC COMPOUNDS INCORPORATING PIPERIDINE AND QUINOLINE OR QUNAXOLINE AS IRAK-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS ASAHI KASEI PHARMA CORP (JP) 2025-05-21 EP disclosed
CN-119654327-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州(苏州)生物科技有限公司 2025-03-18 CN disclosed
EP-4499607-A1 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME Sail Biomedicines, Inc. (US) 2025-02-05 EP disclosed
CN-119072464-A Novel ionizable lipids and lipid nanoparticles and methods of use thereof 赛欧生物医药股份有限公司 2024-12-03 CN disclosed
WO-2024041573-A1 FUSED MULTI-HETEROCYCLIC COMPOUNDS AS KRAS G12D MODULATORS AND USES THEREOF ZAI LAB (SHANGHAI) CO., LTD. (CN) 2024-02-29 WO disclosed
WO-2024032703-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2024-02-15 WO disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US disclosed
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 EP disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 WO disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 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 (6 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-20250205167-A1 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME PHOSPHO1, SGMS2, SGMS1 CHRM2 4417/4885CHRM1 4686/4885CHRM3 4044/4885
US-12577258-B2 Macrocyclic compound IRAK1, IRAK4, IRAK2 CHRM2 2345/4885CHRM1 1255/4885CHRM3 1610/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CHRM2 2683/4885CHRM1 2992/4885CHRM3 2727/4885
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 CHRM2 33/4885CHRM1 40/4885CHRM3 17/4885
US-20250250287-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH KRAS, NRAS, HRAS CHRM2 4777/4885CHRM1 4809/4885CHRM3 4722/4885
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L CHRM2 3234/4885CHRM1 3222/4885CHRM3 3397/4885

“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.