SCHEMBL17994264

SCHEMBL17994264

COC(=O)C1CN(C(O)[C@H](Cc2ccc(-c3ncc(-c4ccc(OCCCC(C)C)cc4)cn3)cc2)NC(=O)OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.42
▸ ITGA2B P08514 14/20 0.42
▸ ITGAV P06756 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ CTSD P07339 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ RARB P10826 1/20 0.35

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
SCHEMBL19485464 0.93 ITGB3 (0.49) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL17968904 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL17825430 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL19807141 0.81 ITGB3 (0.52) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL17825370 0.81 ITGB3 (0.61) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL17834529 0.81 ITGB3 (0.61) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL17968782 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVCTSLCTSS
SCHEMBL17825315 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVCTSLCTSS
SCHEMBL16295823 0.79 ITGB3 (0.49) ITGB3ITGA2BITGAVITGA4ITGB7
SCHEMBL16295824 0.79 ITGB3 (0.49) ITGB3ITGA2BITGAVITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US 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 (1 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

“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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