SCHEMBL631031

SCHEMBL631031

CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.36
JAK3 P52333 2/20 0.35
PREP P48147 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
EPHX1 P07099 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H2 P55055 1/20 0.33

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
SCHEMBL192363 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL387543 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
Hydrochloric Acid SCHEMBL17063978 0.98 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL14956788 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL705581 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL14956785 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL4249117 0.90 USP2 (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL6078246 0.90 USP2 (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL7227763 0.90 USP2 (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL15116613 0.87 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
CN-104926793-A Tumor-treating compound and application thereof HINOVA PHARMA INC 2015-09-23 CN claimed
EP-2735560-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-METHYLPROLINE DERIVATIVE Kaneka Corporation (JP) 2014-05-28 EP claimed
CN-122079960-A Alkynyl quinazoline compounds 2026-05-26 CN disclosed
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-19 US disclosed
EP-4695236-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2026-02-18 EP disclosed
US-20250340548-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORP (US) 2025-11-06 US disclosed
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
WO-2025106920-A1 PARP PET IMAGING AGENTS AND METHODS OF USING THE SAME YALE UNIVERSITY (US) 2025-05-22 WO disclosed
CN-102264736-A Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 2011-11-30 CN disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
EP-2350071-A1 SUBSTITUTED PYRAZOLOÝ1,5-a¨PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-08-03 EP disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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 (8 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-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K GRIN2B 2112/4885GRIN2C 1972/4885USP2 4331/4885
US-12435046-B2 Alkynyl quinazoline compounds GLS, GLS2, MCL1 GRIN2B 1629/4885GRIN2C 844/4885USP2 2868/4885
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 GRIN2B 286/4885GRIN2C 43/4885USP2 3307/4885
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 GRIN2B 286/4885GRIN2C 43/4885USP2 3307/4885
US-20250340548-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GRIN2B 4510/4885GRIN2C 3675/4885USP2 953/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 GRIN2B 2282/4885GRIN2C 2084/4885USP2 2821/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 GRIN2B 364/4885GRIN2C 419/4885USP2 347/4885
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, BCL6 GRIN2B 3016/4885GRIN2C 294/4885USP2 3743/4885

“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.