SCHEMBL17492926

SCHEMBL17492926

CCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.39
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ CTSK P43235 2/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ACE P12821 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
SCHEMBL17492927 1.00 P2RX7 (0.39) P2RX7FNTAFNTBITGA4ITGB7
SCHEMBL17492925 0.92 P2RX7 (0.40) P2RX7ITGB3ITGA2B
SCHEMBL17492924 0.92 P2RX7 (0.40) P2RX7ITGB3ITGA2B
SCHEMBL22167429 0.90 NPC1 (0.38) ITGB3ITGA2BITGAVACE
SCHEMBL17532352 0.90 NPC1 (0.38) ITGB3ITGA2BITGAVACE
SCHEMBL17459532 0.88 P2RX7 (0.40) P2RX7ITGB3ITGA2BITGAV
SCHEMBL17532354 0.86 S1PR1 (0.36) ITGB3ITGA2BACE
SCHEMBL22167262 0.86 S1PR1 (0.36) ITGB3ITGA2BACE
SCHEMBL22167257 0.85 CCR1 (0.36) —
SCHEMBL17539170 0.85 S1PR4 (0.35) ITGB3ITGA2B

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-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — 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 (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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885FNTA 2550/4885FNTB 1948/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885FNTA 2550/4885FNTB 1948/4885

“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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