SCHEMBL1363945

SCHEMBL1363945

NCCc1ccc(F)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.52
HTR2A P28223 1/20 0.52
KDM4E B2RXH2 4/20 0.47
ADRA2A P08913 2/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
MAPK1 P28482 2/20 0.47
DRD3 P35462 2/20 0.47
RECQL P46063 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2D6 P10635 2/20 0.47
PNMT P11086 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ADRB2 P07550 1/20 0.47

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
Hydrochloric Acid SCHEMBL17823096 0.98 TAAR1 (0.50) TAAR1HTR2AKDM4EADRA2AMAPT
SCHEMBL51845 0.84 KDM4E (0.47) TAAR1HTR2AKDM4ECYP2D6PNMT
SCHEMBL3400966 0.84 KDM4E (0.47) TAAR1HTR2AKDM4ECYP2D6PNMT
SCHEMBL1128476 0.83 TAAR1 (0.52) TAAR1HTR2AKDM4EADRA2AMAPT
Hydrochloric Acid SCHEMBL148514 0.83 KDM4E (0.46) TAAR1HTR2AKDM4EMAPTCYP2D6
SCHEMBL4444493 0.83 CYP1A2 (0.46) TAAR1HTR2AKDM4ETDP1CYP2D6
SCHEMBL5705931 0.82 TAAR1 (0.56) TAAR1HTR2AKDM4EADRA2AMAPT
SCHEMBL30496702 0.82 TAAR1 (0.56) TAAR1HTR2AKDM4EADRA2AMAPT
SCHEMBL4599785 0.81 CYP1A2 (0.53) KDM4EMAPTTDP1CYP2D6ALDH1A1
SCHEMBL2657319 0.81 CYP1A2 (0.53) KDM4ECYP2D6ALDH1A1TP53HSD17B10

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 38 patents — showing the first 20. 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-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-11 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
EP-3186250-B1 SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
US-20180037582-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-08 US 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-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 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 (7 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 TAAR1 214/4885HTR2A 327/4885KDM4E 3605/4885
US-20180037582-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HCRTR2, HCRTR1, CYP11B2 TAAR1 199/4885HTR2A 10/4885KDM4E 1161/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 TAAR1 185/4885HTR2A 311/4885KDM4E 3506/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 TAAR1 1530/4885HTR2A 755/4885KDM4E 1993/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 TAAR1 185/4885HTR2A 311/4885KDM4E 3506/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 TAAR1 269/4885HTR2A 920/4885KDM4E 1070/4885
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HCRTR2, HCRTR1, CYP11B2 TAAR1 199/4885HTR2A 10/4885KDM4E 1161/4885

“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.