SCHEMBL17532278

SCHEMBL17532278

CC(C)(C)OC(=O)C1CN(C(=O)[C@H](Cc2ccc(-c3ncc(Br)cn3)cc2)NC(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42

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
SCHEMBL17459551 0.89 P2RX7 (0.46) P2RX7ITGB3ITGA2BTGM2CTSK
SCHEMBL17459550 0.89 P2RX7 (0.46) P2RX7ITGB3ITGA2BTGM2CTSK
SCHEMBL16305994 0.86 HRH2 (0.48) P2RX7HRH2HRH1ITGB3ITGA2B
SCHEMBL16294766 0.86 HRH2 (0.48) P2RX7HRH2HRH1ITGB3ITGA2B
SCHEMBL17834397 0.85 P2RX7 (0.43) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL22384156 0.85 P2RX7 (0.43) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL17968795 0.85 P2RX7 (0.43) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL17968796 0.85 P2RX7 (0.43) P2RX7KMT2AHRH2HRH1ITGB3
SCHEMBL22384212 0.85 ACACB (0.36) P2RX7KMT2AHRH2HRH1CTSK
SCHEMBL15019911 0.85 ITGB3 (0.48) P2RX7KMT2AITGB3ITGA2BCTSL

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — 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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO 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 (5 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885KMT2A 4232/4885HRH2 530/4885
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885KMT2A 4635/4885HRH2 769/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885KMT2A 4232/4885HRH2 530/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR P2RX7 183/4885KMT2A 3867/4885HRH2 469/4885
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.

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