SCHEMBL587484

SCHEMBL587484

CC(C)(C)OC(=O)N1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.65
NR1H2 P55055 1/20 0.57
ABHD6 Q9BV23 3/20 0.55
ESR1 P03372 3/20 0.54
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
HDAC1 Q13547 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL30548173 1.00 ESR2 (0.65) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL1650187 0.95 NR1H2 (0.63) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL2117371 0.93 ESR2 (0.54) ESR2NR1H2ABHD6ESR1CA1
SCHEMBL6188337 0.90 ESR2 (0.50) ESR2NR1H2ABHD6ESR1MAPK1
SCHEMBL18033553 0.88 ESR2 (0.67) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL3843083 0.85 ESR2 (0.57) ESR2ABHD6ESR1CA1CA2
SCHEMBL15755296 0.84 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL29368645 0.84 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL5775145 0.84 ESR2 (0.68) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL29051780 0.84 ESR2 (0.45) ESR2NR1H2ABHD6ESR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463362-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
CN-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed
EP-4199919-A1 COMPOUNDS AS GLP-1R AGONISTS Terns Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
US-20220089578-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2022-03-24 US disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 US disclosed
EP-3463362-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-04-10 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
EP-0687267-B1 PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR MERCK SHARP & DOHME (GB) 1999-09-01 EP disclosed
EP-0873317-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-10-28 EP disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 US disclosed
US-5688798-A PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
WO-1997013759-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-04-17 WO disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 365/4885NR1H2 24/4885ABHD6 817/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885ABHD6 784/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR ESR2 335/4885NR1H2 230/4885ABHD6 1408/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885ABHD6 784/4885
US-20220089578-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR ESR2 335/4885NR1H2 230/4885ABHD6 1408/4885

“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.