SCHEMBL16305718

SCHEMBL16305718

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4nc(CC5CCCCC5)no4)cn3)cc2)C(=O)NCCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.46
▸ GCGR P47871 7/20 0.44
▸ ADCY6 O43306 4/20 0.42
▸ ADCY3 O60266 4/20 0.42
▸ ADCY9 O60503 4/20 0.42
▸ ADCY5 O95622 4/20 0.42
▸ ADCY8 P40145 4/20 0.42
▸ ADCY7 P51828 4/20 0.42
▸ ADCY2 Q08462 4/20 0.42
▸ ADCY1 Q08828 4/20 0.42
▸ ADCY4 Q8NFM4 4/20 0.42
▸ S1PR1 P21453 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ S1PR4 O95977 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
SCHEMBL16306235 0.89 GCGR (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305719 0.89 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16306225 0.88 L3MBTL1 (0.46) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16305853 0.88 SRC (0.44) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16306007 0.88 L3MBTL1 (0.45) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16305715 0.88 L3MBTL1 (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16306008 0.87 SRC (0.45) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16305696 0.87 SRC (0.45) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16306096 0.87 SRC (0.45) SRCGCGRADCY6ADCY3ADCY9
SCHEMBL16305844 0.85 GCGR (0.45) GCGRADCY6ADCY3ADCY9ADCY5

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 13 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-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 SRC 2971/4885GCGR 4/4885ADCY6 323/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SRC 2971/4885GCGR 4/4885ADCY6 323/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SRC 2971/4885GCGR 4/4885ADCY6 323/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SRC 2971/4885GCGR 4/4885ADCY6 323/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR SRC 2652/4885GCGR 3/4885ADCY6 411/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR SRC 2652/4885GCGR 3/4885ADCY6 411/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SRC 2971/4885GCGR 4/4885ADCY6 323/4885

“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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