SCHEMBL16306085

SCHEMBL16306085

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(OCCC5CCCCC5)cc4)cn3)cc2)C(=O)N2CC[C@H](C(=O)O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.37
▸ ITGA5 P08648 2/20 0.37
▸ HRH2 P25021 3/20 0.37
▸ HRH1 P35367 3/20 0.37
▸ PRCP P42785 1/20 0.36
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ F2 P00734 3/20 0.35
▸ SRC P12931 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ PRSS1 P07477 2/20 0.34
▸ ACKR3 P25106 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
SCHEMBL22384327 1.00 ITGB1 (0.37) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL16306127 0.95 ITGB1 (0.38) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL16306195 0.95 ITGB1 (0.38) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL16380240 0.93 S1PR5 (0.38) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL16306173 0.92 S1PR5 (0.43) ITGB1HRH2HRH1S1PR5
SCHEMBL17995130 0.92 ST14 (0.36) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL16306227 0.91 S1PR5 (0.44) ITGB1HRH2HRH1S1PR5
SCHEMBL16306059 0.91 HRH2 (0.38) ITGB1ITGA5HRH2HRH1PRCP
SCHEMBL15037152 0.91 S1PR5 (0.44) ITGB1HRH2HRH1S1PR5
SCHEMBL16306162 0.91 S1PR5 (0.44) ITGB1HRH2HRH1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 — — US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — 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 (6 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA5 4689/4885HRH2 530/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA5 4689/4885HRH2 530/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA5 4689/4885HRH2 530/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA5 4618/4885HRH2 469/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA5 4618/4885HRH2 469/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA5 4689/4885HRH2 530/4885

“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.

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