SCHEMBL15959092

SCHEMBL15959092

Oc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
GPR3 P46089 4/20 0.46
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 2/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
PDE2A O00408 1/20 0.41
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
KIF11 P52732 1/20 0.40
TRPA1 O75762 1/20 0.39
P2RX1 P51575 1/20 0.39
WDR5 P61964 1/20 0.39

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
SCHEMBL13250517 0.83 GPR3 (0.46) GPR3AURKATPX2FFAR4FFAR1
SCHEMBL24445841 0.83 GPR3 (0.48) GPR3AURKATPX2MAPTEPHX2
SCHEMBL30543206 0.82 FFAR4 (0.49) GPR3FFAR4FFAR1P2RX1
SCHEMBL22228994 0.82 FFAR4 (0.49) GPR3FFAR4FFAR1P2RX1
SCHEMBL23519090 0.81 CA3 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL30543216 0.79 GPR3 (0.50) GPR3FFAR4FFAR1PDE2AMAPT
SCHEMBL22229001 0.79 GPR3 (0.50) GPR3FFAR4FFAR1PDE2AMAPT
SCHEMBL6003178 0.78 GPR3 (0.44) GPR3AURKATPX2MAPTEPHX2
SCHEMBL13841330 0.78 GPR3 (0.45) GPR3AURKATPX2FFAR4MAPT
SCHEMBL3711415 0.78 WDR5 (0.44) GPR3AURKATPX2MAPTEPHX2

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 7 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-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
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 EP 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 CA3 4826/4885CA6 4810/4885CA5A 3062/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 CA3 4826/4885CA6 4824/4885CA5A 3087/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 CA3 4826/4885CA6 4824/4885CA5A 3087/4885

“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.