SCHEMBL192363

SCHEMBL192363

CC(C)(C)OC(=O)N1CCCC1(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
SCHEMBL631031 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 222 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
EP-4743175-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 EP disclosed
US-12577259-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2026-03-17 US 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
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
US-20250206758-A1 SUBSTITUTED BRIDGED RING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
WO-2025137267-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 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 (7 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 GRIN2B 3811/4885GRIN2C 4455/4885USP2 4855/4885
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-20250206758-A1 SUBSTITUTED BRIDGED RING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, WEE1, NRAS GRIN2B 3094/4885GRIN2C 3914/4885USP2 2468/4885
US-12577259-B2 PCSK9 antagonist compounds PCSK9, LDLR, PCSK6 GRIN2B 1861/4885GRIN2C 984/4885USP2 3226/4885
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.