SCHEMBL17459569

SCHEMBL17459569

N[C@@H](Cc1ccc(-c2ncc(Br)cn2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 13/20 0.54
SLC7A5 Q01650 3/20 0.53
PTGS1 P23219 2/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
HSD17B10 Q99714 2/20 0.48
PTPRC P08575 1/20 0.47
GRB2 P62993 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL17459572 1.00 TPH1 (0.54) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL34462086 0.87 SLC7A5 (0.54) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL31369650 0.83 SLC7A5 (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL26966009 0.83 SLC7A5 (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL16555365 0.82 SLC7A5 (0.56) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL31370558 0.81 SLC7A5 (0.62) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL17468539 0.80 TPH1 (0.40) TPH1SLC7A5
SCHEMBL28526417 0.80 TPH1 (0.40) TPH1SLC7A5
SCHEMBL17459581 0.79 CXCR1 (0.42) TPH1
SCHEMBL17459579 0.79 CXCR1 (0.42) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519407-B1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR RECEPTOS LLC (US) 2021-09-22 EP disclosed
US-11066395-B2 Dimethylaminoethanol salt of a GLP-1 receptor modulator RECEPTOS LLC (US) 2021-07-20 US disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-20200131164-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR RECEPTOS LLC 2020-04-30 US disclosed
EP-3519407-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR Celgene International II Sàrl (CH) 2019-08-07 EP disclosed
WO-2018064476-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR CELGENE INTERNATIONAL II SARL (CH) 2018-04-05 WO disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 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 (4 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TPH1 1203/4885SLC7A5 3743/4885PTGS1 1369/4885
US-20200131164-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR GLP1R, GIPR, GPR119 TPH1 287/4885SLC7A5 2699/4885PTGS1 1106/4885
US-11066395-B2 Dimethylaminoethanol salt of a GLP-1 receptor modulator GLP1R, GIPR, GPR119 TPH1 287/4885SLC7A5 2699/4885PTGS1 1106/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TPH1 1203/4885SLC7A5 3743/4885PTGS1 1369/4885

“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.