SCHEMBL17492904

SCHEMBL17492904

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(CC)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL22167427 1.00 PYGL (0.31) PYGLITGB1ITGA4ITGB7MAPK11
SCHEMBL17492905 1.00 PYGL (0.31) PYGLITGB1ITGA4ITGB7MAPK11
SCHEMBL17532297 0.95 S1PR1 (0.34) PYGLITGB1ITGA4ITGB7MAPK11
SCHEMBL22167394 0.95 S1PR1 (0.34) PYGLITGB1ITGA4ITGB7MAPK11
SCHEMBL17532367 0.95 S1PR1 (0.34) PYGLITGB1ITGA4ITGB7MAPK11
SCHEMBL17532348 0.95 F2 (0.32) PYGLITGB1ITGA4ITGB7NPC1
SCHEMBL17539147 0.93 PYGL (0.32) PYGLITGA4ITGB7NPC1TP53
SCHEMBL17532288 0.92 PYGL (0.31) PYGLMAPK11MAPK14S1PR4S1PR1
SCHEMBL22167213 0.92 — —
SCHEMBL17532366 0.92 F2 (0.31) PYGLMAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — 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-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — 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
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — 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 PYGL 376/4885ITGB1 2411/4885ITGA4 3987/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885ITGB1 2411/4885ITGA4 3987/4885

“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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