SCHEMBL16305642

SCHEMBL16305642

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N4CC[C@H](C(=O)OC)C4)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.47
▸ ITGA2B P08514 12/20 0.47
▸ ITGAV P06756 1/20 0.46
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ P2RX7 Q99572 3/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ YAP1 P46937 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL22384305 1.00 ITGB3 (0.47) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295540 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16343396 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295969 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295824 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295823 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16343092 0.90 ITGB3 (0.50) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL16295738 0.90 ITGB3 (0.50) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL22756121 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVP2RX7
SCHEMBL16305994 0.88 HRH2 (0.48) ITGB3ITGA2BITGAVHRH2HRH1

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-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-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 ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885ITGAV 4586/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885ITGAV 4586/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885

“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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