SCHEMBL17834651

SCHEMBL17834651

CCC[C@H]1CC[C@H](C2CCN(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)nc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.37
▸ ITGB3 P05106 6/20 0.36
▸ ITGA2B P08514 6/20 0.36
▸ ITGB1 P05556 5/20 0.36
▸ ITGAV P06756 5/20 0.36
▸ ITGA5 P08648 5/20 0.36
▸ ITGB5 P18084 5/20 0.36
▸ MAPK14 Q16539 5/20 0.35
▸ MC4R P32245 1/20 0.34
▸ P2RY12 Q9H244 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
▸ PRCP P42785 1/20 0.33
▸ PYGL P06737 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
SCHEMBL19485685 1.00 ENPP2 (0.37) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL17834943 0.92 ITGB3 (0.39) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL17834968 0.92 ITGB3 (0.37) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL19485674 0.92 ITGB3 (0.37) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL19485739 0.92 ITGB1 (0.39) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL17834960 0.92 ITGB1 (0.39) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL17532296 0.91 ALDH1A1 (0.35) ENPP2ITGB3ITGA2BMC4RPRCP
SCHEMBL22167240 0.91 ALDH1A1 (0.35) ENPP2ITGB3ITGA2BMC4RPRCP
SCHEMBL17834958 0.91 ITGB3 (0.40) ENPP2ITGB3ITGA2BITGB1ITGAV
SCHEMBL17834817 0.91 ITGB3 (0.40) ENPP2ITGB3ITGA2BITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ENPP2 291/4885ITGB3 4025/4885ITGA2B 4142/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ENPP2 350/4885ITGB3 3678/4885ITGA2B 4134/4885

“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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