SCHEMBL16305789

SCHEMBL16305789

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CCC(C(=O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 9/20 0.44
▸ HRH2 P25021 4/20 0.41
▸ HRH1 P35367 4/20 0.41
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ S1PR1 P21453 5/20 0.38
▸ S1PR3 Q99500 4/20 0.38

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
SCHEMBL15037152 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16306162 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16305922 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL15037068 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL15037067 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16306227 0.96 S1PR5 (0.44) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16306173 0.95 S1PR5 (0.43) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16305550 0.93 S1PR5 (0.43) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16295053 0.93 S1PR5 (0.43) S1PR5HRH2HRH1ITGB1ITGA4
SCHEMBL16306025 0.93 S1PR5 (0.43) S1PR5HRH2HRH1ITGB1ITGA4

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 14 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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — 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-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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO 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 (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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR5 889/4885HRH2 530/4885HRH1 485/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR5 889/4885HRH2 530/4885HRH1 485/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR5 889/4885HRH2 530/4885HRH1 485/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR5 889/4885HRH2 530/4885HRH1 485/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR5 939/4885HRH2 469/4885HRH1 426/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR5 939/4885HRH2 469/4885HRH1 426/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR5 889/4885HRH2 530/4885HRH1 485/4885

“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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