SCHEMBL17532283

SCHEMBL17532283

CCCC1CCC(C2CCC(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ S1PR1 P21453 4/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ MAPK11 Q15759 2/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ S1PR4 O95977 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PSMB2 P49721 4/20 0.32
▸ PSMB10 P40306 3/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 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
SCHEMBL22167492 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTMAPK11MAPK14
SCHEMBL19485741 0.91 ITGB3 (0.35) MAPK11MAPK14ITGB1
SCHEMBL17834465 0.91 ITGB3 (0.35) MAPK11MAPK14ITGB1
SCHEMBL17532288 0.89 PYGL (0.31) PYGLS1PR1S1PR5MAPK11MAPK14
SCHEMBL17834435 0.88 S1PR1 (0.34) PYGLS1PR1S1PR5S1PR4S1PR3
SCHEMBL22167227 0.87 CCR1 (0.39) ALDH1A1LMNAMAPTPYGLS1PR1
SCHEMBL17532282 0.87 CCR1 (0.39) ALDH1A1LMNAMAPTPYGLS1PR1
SCHEMBL17532286 0.86 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPYGLS1PR1
SCHEMBL17532372 0.85 F2 (0.34) PYGLS1PR1S1PR5MAPK11MAPK14
SCHEMBL19485651 0.85 ITGB3 (0.36) MAPK11MAPK14ITGB1

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 ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ALDH1A1 4730/4885LMNA 2896/4885MAPT 3992/4885

“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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