SCHEMBL19641600

SCHEMBL19641600

Fc1ccc(CC2CCC2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A4 P31645 2/20 0.38
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CNR1 P21554 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL12241635 0.83 CNR1 (0.47) ALDH1A1PTGS1PTGS2CNR1
SCHEMBL19660203 0.79 PTPN1 (0.36) IDO1CYP2D6CYP2C9CYP2C19PDE2A
SCHEMBL16191209 0.78 ALDH1A1 (0.49) ALDH1A1SLC6A4CNR1
SCHEMBL29032247 0.78 SLC6A4 (0.42) IDO1SLC6A4CNR1
SCHEMBL7437741 0.75 SLC6A4 (0.38) SLC6A4PTGS1PTGS2
SCHEMBL12241634 0.75 ALDH1A1 (0.41) ALDH1A1PTGS1PTGS2CNR1
SCHEMBL4292162 0.75 CNR1 (0.52) ALDH1A1CNR1
SCHEMBL15104570 0.75 POLB (0.50) KDM4EALDH1A1TSHR
SCHEMBL22990868 0.74 SLC6A2 (0.47) CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL31006903 0.74 NPC1 (0.54) KDM4EIDO1ALDH1A1TSHR

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 11 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
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 KDM4E 3605/4885IDO1 2192/4885ALDH1A1 2358/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 KDM4E 3506/4885IDO1 2211/4885ALDH1A1 2368/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 KDM4E 3506/4885IDO1 2211/4885ALDH1A1 2368/4885

“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.