SCHEMBL17539189

SCHEMBL17539189

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.35
▸ ITGB3 P05106 10/20 0.33
▸ ITGA2B P08514 10/20 0.33
▸ ITGB1 P05556 8/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ ITGB7 P26010 2/20 0.33
▸ ITGA5 P08648 6/20 0.33
▸ ITGAV P06756 5/20 0.33
▸ ITGB5 P18084 5/20 0.33
▸ SLC8A1 P32418 1/20 0.31
▸ MME P08473 3/20 0.31
▸ ACE P12821 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31
▸ PSMB2 P49721 1/20 0.31

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
SCHEMBL22167479 1.00 KIFC1 (0.35) KIFC1ITGB3ITGA2BITGB1ITGA4
SCHEMBL17468487 0.95 KIFC1 (0.34) KIFC1ITGB3ITGA2BITGB1ITGA4
SCHEMBL17532368 0.95 KIFC1 (0.34) KIFC1ITGB3ITGA2BITGB1ITGA4
SCHEMBL19695867 0.95 KIFC1 (0.34) KIFC1ITGB3ITGA2BITGB1ITGA4
SCHEMBL19695865 0.94 HPGDS (0.33) —
SCHEMBL17532332 0.94 PSMB2 (0.33) KIFC1PSMB2
SCHEMBL17459567 0.93 MME (0.32) KIFC1MMEPSMB2
SCHEMBL19695848 0.93 MME (0.32) KIFC1MMEPSMB2
SCHEMBL22167454 0.93 PSMB2 (0.33) KIFC1MMEACEACE2PSMB2
SCHEMBL17532335 0.93 PSMB2 (0.33) KIFC1MMEACEACE2PSMB2

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 KIFC1 4760/4885ITGB3 3314/4885ITGA2B 3336/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4760/4885ITGB3 3314/4885ITGA2B 3336/4885

“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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