SCHEMBL18409255

SCHEMBL18409255

CCC1(C)OB(C2=CCN(C(=O)OC(C)(C)C)CC2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.39
GRM5 P41594 9/20 0.38
GRM1 Q13255 9/20 0.37
USP30 Q70CQ3 1/20 0.36
NAMPT P43490 1/20 0.36
ESR2 Q92731 1/20 0.34
HTR6 P50406 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 1/20 0.34
ADORA1 P30542 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL20048319 0.92 PDK4 (0.37) PDK4GRM5GRM1USP30NAMPT
SCHEMBL39349 0.90 PDK4 (0.43) PDK4GRM5GRM1USP30NAMPT
SCHEMBL19189845 0.90 PDK4 (0.36) PDK4GRM5GRM1USP30NAMPT
SCHEMBL24554952 0.89 USP30 (0.36) PDK4GRM5USP30NAMPTESR2
SCHEMBL20420397 0.87 PDK4 (0.37) PDK4GRM5GRM1USP30NAMPT
Carbamic Acid SCHEMBL30167549 0.85 GRM5 (0.41) PDK4GRM5GRM1USP30NAMPT
SCHEMBL24792689 0.85 ESR2 (0.35) PDK4GRM5GRM1USP30NAMPT
SCHEMBL12194027 0.85 GRM5 (0.45) PDK4GRM5GRM1NAMPTESR2
SCHEMBL20131001 0.84 PDK4 (0.40) PDK4GRM5GRM1USP30NAMPT
SCHEMBL19373550 0.83 PDK4 (0.39) PDK4GRM5GRM1USP30NAMPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 US disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-01-27 US disclosed
US-10844049-B2 GLP-1R agonists and uses thereof QILU REGOR THERAPEUTICS INC. (CN) 2020-11-24 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 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 (5 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-10844049-B2 GLP-1R agonists and uses thereof GLP1R, GPR119, GIPR PDK4 633/4885GRM5 925/4885GRM1 1475/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP PDK4 503/4885GRM5 1234/4885GRM1 1488/4885
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR PDK4 504/4885GRM5 960/4885GRM1 1208/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP PDK4 503/4885GRM5 1234/4885GRM1 1488/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR PDK4 1168/4885GRM5 470/4885GRM1 327/4885

“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.