SCHEMBL19643521

SCHEMBL19643521

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](Oc2ccc(C#N)c(Br)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.35
▸ PGR P06401 3/20 0.34
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ TBK1 Q9UHD2 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL19643519 1.00 AR (0.35) ARPGRSLC6A2SLC6A4SLC6A3
SCHEMBL21028817 0.81 AR (0.37) ARPGR
SCHEMBL19643008 0.80 PGR (0.38) ARPGRSLC6A2SLC6A4SLC6A3
SCHEMBL19641872 0.80 PGR (0.38) ARPGRSLC6A2SLC6A4SLC6A3
SCHEMBL31585416 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL25356465 0.77 KDM4E (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL25356462 0.77 KDM4E (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL19643694 0.76 SLC6A2 (0.37) ARPGRSLC6A2SLC6A4SLC6A3
SCHEMBL19643696 0.76 SLC6A2 (0.37) ARPGRSLC6A2SLC6A4SLC6A3
SCHEMBL28567534 0.75 PGR (0.48) ARPGRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 AR 565/4885PGR 1294/4885SLC6A2 1806/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 AR 496/4885PGR 1257/4885SLC6A2 1574/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 AR 496/4885PGR 1257/4885SLC6A2 1574/4885

“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.

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