SCHEMBL17540955

SCHEMBL17540955

CCOC(=O)c1cc(Cl)c2c(n1)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNMT P11086 1/20 0.37
NOTUM Q6P988 1/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL23198539 0.91 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL23198439 0.87 ADORA1 (0.44) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL24758541 0.85 ADORA1 (0.43) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL23200186 0.85 ADORA1 (0.45) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL24759060 0.83 KDM4E (0.43) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL24722779 0.82 ADORA1 (0.40) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL24759623 0.81 ADORA1 (0.40) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL24763415 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2
SCHEMBL17540961 0.80 GRM2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL23199094 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ADORA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250109148-A1 HETEROCYCLIC GLP-1 AGONISTS SHANGHAI SHOUTI BIOTECHNOLOGY CO., LTD. (CN) 2025-04-03 US disclosed
CN-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed
EP-4469444-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2024-12-04 EP disclosed
CN-117088885-A Triazolopyridazine compound and application thereof 上海赛默罗生物科技有限公司 2023-11-21 CN disclosed
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 US disclosed
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. 2022-12-22 US disclosed
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. 2022-12-22 US disclosed
EP-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 EP disclosed
WO-2021055728-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-03-25 WO disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. 2018-09-11 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
EP-3185865-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-05 EP disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 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 (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-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use GRIN2A, GRIN2C, GRIN2B SLC6A2 161/4885SLC6A4 234/4885SLC6A3 184/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B SLC6A2 161/4885SLC6A4 234/4885SLC6A3 184/4885
US-20250109148-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR SLC6A2 1998/4885SLC6A4 1160/4885SLC6A3 1613/4885
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 SLC6A2 3278/4885SLC6A4 4567/4885SLC6A3 2156/4885
US-20220402916-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS SLC6A2 3818/4885SLC6A4 4581/4885SLC6A3 3442/4885

“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.