SCHEMBL17459551

SCHEMBL17459551

O=C(NC(Cc1ccc(-c2ncc(Br)cn2)cc1)C(=O)N1CC(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ TGM2 P21980 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ CTSK P43235 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PYGL P06737 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ RCOR1 Q9UKL0 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
SCHEMBL17459550 1.00 P2RX7 (0.46) P2RX7KDM1ATGM2TACR1ITGA4
SCHEMBL17532278 0.89 P2RX7 (0.52) P2RX7TGM2ITGA4ITGB7CTSK
SCHEMBL17968782 0.84 ITGB3 (0.49) P2RX7CTSKITGB3ITGA2B
SCHEMBL17825315 0.84 ITGB3 (0.49) P2RX7CTSKITGB3ITGA2B
SCHEMBL16294752 0.84 ITGB3 (0.56) TACR1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL17968987 0.84 ITGB3 (0.56) TACR1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL16294750 0.84 ITGB3 (0.56) TACR1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL16343092 0.83 ITGB3 (0.50) P2RX7CTSKITGB3ITGA2B
SCHEMBL16295738 0.83 ITGB3 (0.50) P2RX7CTSKITGB3ITGA2B
SCHEMBL22167246 0.82 ALDH1A1 (0.54) TACR1ITGA4ITGB7CTSKITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — 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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 — — EP 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-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
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 (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 187/4885KDM1A 2700/4885TGM2 1807/4885
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885KDM1A 3106/4885TGM2 1575/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885KDM1A 2700/4885TGM2 1807/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR P2RX7 183/4885KDM1A 2245/4885TGM2 1648/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 195/4885KDM1A 3106/4885TGM2 1575/4885

“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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