SCHEMBL19643162

SCHEMBL19643162

COc1cc(OC(F)(F)F)cc(Br)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RUNX1 Q01196 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32

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
SCHEMBL30451950 0.78 GPR3 (0.46) POLBRUNX1SCN5AALDH1A1GAA
SCHEMBL5747338 0.78 GPR3 (0.46) POLBRUNX1SCN5AALDH1A1GAA
SCHEMBL2730880 0.76 PTGS2 (0.48) PTGS2PTGS1GAAMAPTCA9
SCHEMBL14183059 0.76 PTGS1 (0.41) PTGS2PTGS1RUNX1HCRTR1SCN5A
SCHEMBL5158453 0.76 ALDH1A1 (0.46) POLBRUNX1ALDH1A1GAATHRB
SCHEMBL19642956 0.76 ALDH1A1 (0.33) FFAR4FFAR1POLBALDH1A1GAA
SCHEMBL31680183 0.76 ALDH1A1 (0.33) FFAR4FFAR1POLBALDH1A1GAA
SCHEMBL4176039 0.75 PTGS1 (0.43) PTGS2PTGS1RUNX1HCRTR1SCN5A
SCHEMBL27836138 0.74 POLB (0.40) PTGS2POLBL3MBTL1HTR2CALDH1A1
SCHEMBL13968338 0.72 GPR3 (0.44) RUNX1SCN5ACA12CA1CA2

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 10 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-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US 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-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
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
WO-2017201683-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 PTGS2 413/4885PTGS1 421/4885FFAR4 18/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 PTGS2 499/4885PTGS1 508/4885FFAR4 19/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 PTGS2 499/4885PTGS1 508/4885FFAR4 19/4885

“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.

Send feedback