SCHEMBL717324

SCHEMBL717324

CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 3/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.49
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL29465735 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL1784108 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL5460811 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL14168735 0.89 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL29952714 0.86 PPARG (0.44) CTSKCTSSMAPTATMPPARA
SCHEMBL29955950 0.86 PPARG (0.44) CTSKCTSSMAPTATMPPARA
SCHEMBL3372679 0.86 AAK1 (0.43) CTSKCTSSMAPTATM
SCHEMBL14436617 0.86 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL3378239 0.86 CTSK (0.46) CTSKCTSSMAPTATM
SCHEMBL27674504 0.86 CTSK (0.46) CTSKCTSSMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064788-A2 CCR5 CONJUGATES AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-110845288-B Asymmetric synthesis method of chiral beta-amino aldehyde compound 浙江工业大学 2022-07-19 CN disclosed
CN-110845369-B Synthetic method of dapoxetine and intermediate thereof 浙江工业大学 2022-03-18 CN disclosed
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-29 US disclosed
CN-110845288-A Asymmetric synthesis method of chiral β -amino aldehyde compound 浙江工业大学 2020-02-28 CN disclosed
EP-3521274-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-08-07 EP disclosed
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-01 US disclosed
CN-109790114-A Novel chiral ligands, metallo-chelate, a variety of unnatural amino acids, the synthetic method of Malawi's promise and its key intermediate 中国科学院上海药物研究所 2019-05-21 CN disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2004-06-10 US disclosed
WO-2004018425-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
EP-1368314-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2003080574-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 WO disclosed
EP-0882022-A1 ASPARTYL PROTEASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 1998-12-09 EP disclosed
WO-1997027180-A1 ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-07-31 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 (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-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof PRMT3, GRIN3A, RAMP3 CTSK 2360/4885CTSS 1958/4885MAPT 3425/4885
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF PRMT3, GRIN3A, RAMP3 CTSK 2360/4885CTSS 1958/4885MAPT 3425/4885
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 CTSK 3413/4885CTSS 2413/4885MAPT 3792/4885

“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.