SCHEMBL17539194

SCHEMBL17539194

CCCCCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.33
▸ ITGA2B P08514 6/20 0.33
▸ MME P08473 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ PSMB2 P49721 4/20 0.31
▸ PLG P00747 3/20 0.31
▸ PRSS1 P07477 3/20 0.31
▸ PRSS2 P07478 3/20 0.31
▸ PRSS3 P35030 3/20 0.31
▸ PSMB10 P40306 3/20 0.31
▸ ITGAV P06756 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ PLAU P00749 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
SCHEMBL19695848 0.96 MME (0.32) MMEANPEPPSMB2PSMB10
SCHEMBL17459567 0.96 MME (0.32) MMEANPEPPSMB2PSMB10
SCHEMBL17532330 0.94 MME (0.32) MMEANPEPPSMB2PSMB10
SCHEMBL17532356 0.94 MME (0.32) MMEANPEPPSMB2PSMB10
SCHEMBL17532314 0.94 ITGB3 (0.34) ITGB3ITGA2BMMEANPEPPLG
SCHEMBL17532361 0.92 MME (0.33) MMEANPEPPSMB2PSMB10
SCHEMBL22167229 0.91 PLG (0.33) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL17532334 0.90 DGAT1 (0.33) PSMB2PSMB10
SCHEMBL17532318 0.90 MME (0.33) MMEANPEPPSMB2PSMB10
SCHEMBL22167479 0.90 KIFC1 (0.35) ITGB3ITGA2BMMEPSMB2ITGAV

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 5 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
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 ITGB3 3314/4885ITGA2B 3336/4885MME 1336/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 3314/4885ITGA2B 3336/4885MME 1336/4885

“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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