SCHEMBL16306059

SCHEMBL16306059

CC(C)CCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CC[C@H](C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 5/20 0.38
▸ HRH1 P35367 5/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ S1PR5 Q9H228 3/20 0.36
▸ UTS2R Q9UKP6 3/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ TMPRSS15 P98073 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33

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
SCHEMBL16306028 0.98 HRH2 (0.38) HRH2HRH1KMT2AITGB1ITGA5
SCHEMBL16305964 0.95 S1PR1 (0.38) HRH2HRH1ITGB1ITGA5S1PR5
SCHEMBL16295387 0.95 S1PR1 (0.38) HRH2HRH1ITGB1ITGA5S1PR5
SCHEMBL16306173 0.94 S1PR5 (0.43) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL16305922 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL15037152 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL15037068 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL16306162 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL16306227 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1
SCHEMBL15037067 0.93 S1PR5 (0.44) HRH2HRH1ITGB1S1PR5S1PR1

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-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-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 HRH2 530/4885HRH1 485/4885KMT2A 4232/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885KMT2A 4232/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885KMT2A 4232/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885KMT2A 4232/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HRH2 469/4885HRH1 426/4885KMT2A 3867/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HRH2 469/4885HRH1 426/4885KMT2A 3867/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885KMT2A 4232/4885

“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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