SCHEMBL19643122

SCHEMBL19643122

CC(C)(C)OC(=O)N1CCc2c(ccc(OS(=O)(=O)C(F)(F)F)c2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
ACACB O00763 1/20 0.49
NR1H2 P55055 1/20 0.47
SCN9A Q15858 1/20 0.41
UCHL1 P09936 1/20 0.40
ABHD6 Q9BV23 4/20 0.40
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.38
STS P08842 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
DRD2 P14416 1/20 0.36
HDAC1 Q13547 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
SCHEMBL29390745 1.00 ESR2 (0.50) ESR2ACACBNR1H2SCN9AUCHL1
SCHEMBL2117067 0.88 ESR2 (0.48) ESR2ACACBNR1H2SCN9AUCHL1
SCHEMBL17890596 0.87 ESR2 (0.47) ESR2ACACBNR1H2SCN9AUCHL1
SCHEMBL29591040 0.87 ESR2 (0.47) ESR2ACACBNR1H2SCN9AUCHL1
SCHEMBL5777459 0.85 ABHD6 (0.53) ESR2NR1H2SCN9AUCHL1ABHD6
SCHEMBL16518095 0.84 ESR2 (0.43) ESR2ACACBNR1H2SCN9AADORA1
SCHEMBL15451359 0.82 ESR2 (0.49) ESR2ACACBNR1H2SCN9AUCHL1
SCHEMBL17463334 0.81 ESR2 (0.44) ESR2NR1H2ADORA1STSGPR119
SCHEMBL16518094 0.81 PTGDR2 (0.43) ESR2NR1H2ADORA1
SCHEMBL16518097 0.81 ESR2 (0.41) ESR2NR1H2SCN9AUCHL1ADORA1

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 12 patents. 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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO 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-2017205193-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885ACACB 857/4885NR1H2 794/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885ACACB 857/4885NR1H2 794/4885
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 365/4885ACACB 797/4885NR1H2 24/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 ESR2 366/4885ACACB 801/4885NR1H2 24/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 366/4885ACACB 801/4885NR1H2 24/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885ACACB 857/4885NR1H2 794/4885

“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.