SCHEMBL17834962

SCHEMBL17834962

CCC[C@H]1CC[C@H](C2CCN(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C#N)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ MAPK14 Q16539 6/20 0.36
▸ ENPP2 Q13822 2/20 0.34
▸ P2RY12 Q9H244 5/20 0.33
▸ PYGL P06737 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ DDR2 Q16832 1/20 0.33
▸ MAP3K20 Q9NYL2 1/20 0.33
▸ MAP3K4 Q9Y6R4 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 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
SCHEMBL19485733 1.00 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17834943 0.93 ITGB3 (0.39) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17834810 0.91 S1PR4 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL19485688 0.91 S1PR4 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL19485742 0.91 ITGB3 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17834958 0.91 ITGB3 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17834817 0.91 ITGB3 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL19485632 0.91 ITGB3 (0.40) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL17834960 0.90 ITGB1 (0.39) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL19485739 0.90 ITGB1 (0.39) ITGB3ITGA2BITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP 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-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
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — 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 (2 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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885ITGB1 3369/4885

“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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