SCHEMBL17459532

SCHEMBL17459532

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)OC(C)(C)C)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ITGB3 P05106 3/20 0.37
▸ ITGA2B P08514 3/20 0.37
▸ ITGAV P06756 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ YAP1 P46937 1/20 0.36

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
SCHEMBL17492924 0.96 P2RX7 (0.40) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL17492925 0.96 P2RX7 (0.40) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL17492927 0.88 P2RX7 (0.39) P2RX7ITGB3ITGA2BITGAV
SCHEMBL17492926 0.88 P2RX7 (0.39) P2RX7ITGB3ITGA2BITGAV
SCHEMBL17459642 0.84 DPP4 (0.32) HRH2HRH1
SCHEMBL17532278 0.83 P2RX7 (0.52) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL17825546 0.82 FPR2 (0.40) P2RX7ITGB3ITGA2BITGAVYAP1
SCHEMBL17968959 0.82 FPR2 (0.40) P2RX7ITGB3ITGA2BITGAVYAP1
SCHEMBL17968958 0.82 FPR2 (0.40) P2RX7ITGB3ITGA2BITGAVYAP1
SCHEMBL17968795 0.82 P2RX7 (0.43) P2RX7KMT2AHRH2HRH1ITGB3

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 12 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-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
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 — — EP 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
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — WO disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — WO 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 195/4885KMT2A 4635/4885HRH2 769/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885KMT2A 4635/4885HRH2 769/4885

“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.

Send feedback