SCHEMBL17532281

SCHEMBL17532281

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(C4=CCC(c5ccccc5)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.35
▸ PRCP P42785 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CAPN1 P07384 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ SLC8A1 P32418 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ HPN P05981 1/20 0.31
▸ HGFAC Q04756 1/20 0.31
▸ ST14 Q9Y5Y6 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 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
SCHEMBL17532316 0.94 ACACB (0.32) PYGLCCR1
SCHEMBL22167435 0.94 ACACB (0.32) PYGLCCR1
SCHEMBL17468603 0.90 PYGL (0.33) PYGLPRCPNPC1MAPK11MAPK14
SCHEMBL17532306 0.89 PYGL (0.33) PYGLPRCPNPC1F10
SCHEMBL17532303 0.89 PYGL (0.32) PYGLPRCPNPC1CDK9
SCHEMBL22167367 0.89 PYGL (0.32) PYGLPRCPNPC1CDK9
SCHEMBL17532336 0.89 PRCP (0.32) PYGLPRCPNPC1MAPK11MAPK14
SCHEMBL20026803 0.89 PRCP (0.32) PYGLPRCPNPC1MAPK11MAPK14
SCHEMBL17532305 0.88 PYGL (0.32) PYGLPRCPMAPK11MAPK14
SCHEMBL17492920 0.87 PYGL (0.32) PYGLPRCP

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 9 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
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

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 PYGL 376/4885PRCP 926/4885NPC1 3488/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885PRCP 926/4885NPC1 3488/4885

“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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