SCHEMBL86153

SCHEMBL86153

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 13/20 0.56
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CYP2D6 P10635 1/20 0.44

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
SCHEMBL86185 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL4118840 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL28198520 0.84 CTSK (0.52) CTSKCTSSCTSLCTSBCA1
SCHEMBL6326266 0.84 CA1 (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL18055375 0.83 CA1 (0.63) CTSKCTSSCTSLCTSBCA1
SCHEMBL14738065 0.83 CTSS (0.54) CTSKCTSSCTSLCTSBCA1
SCHEMBL21085559 0.83 CA1 (0.63) CTSKCTSSCTSLCTSBCA1
SCHEMBL30993172 0.82 CA1 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL30993196 0.82 CA1 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL6381798 0.81 CTSK (0.52) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638421-A1 PROCESS TO MAKE GLP1 RA AND INTERMEDIATES THEREFOR Eli Lilly and Company (US) 2025-10-29 EP disclosed
CN-119874775-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-25 CN disclosed
CN-119841865-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-18 CN disclosed
CN-119823184-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-15 CN disclosed
CN-119432794-A Process for preparing (S) -3-aminobutyric acid by transaminase catalysis 宁波酶赛生物工程有限公司 2025-02-14 CN disclosed
CN-119431184-A Synthesis method of (S) -3-aminobutyric acid 宁波酶赛生物工程有限公司 2025-02-14 CN disclosed
CN-115698003-B Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2024-10-11 CN disclosed
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
CN-118420491-A Synthesis process of (S) -3-amino butyronitrile hydrochloride 镇江中智化学科技有限公司 2024-08-02 CN disclosed
US-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists ECCOGENE INC. (US) 2024-07-16 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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-12037339-B2 Substituted imidazoles as GLP-1 receptor agonists GLP1R, GIPR, SLC5A1 CTSK 2850/4885CTSS 2971/4885CTSL 2994/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CTSK 2139/4885CTSS 2461/4885CTSL 2210/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CTSK 1976/4885CTSS 2070/4885CTSL 1875/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL CTSK 1840/4885CTSS 1337/4885CTSL 1243/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 CTSK 1963/4885CTSS 2123/4885CTSL 1785/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CTSK 1957/4885CTSS 1961/4885CTSL 1142/4885

“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.