SCHEMBL17532282

SCHEMBL17532282

CCCC1CCC(C2CCC(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ PYGL P06737 1/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ MC4R P32245 1/20 0.34

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
SCHEMBL22167227 1.00 CCR1 (0.39) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL17532286 0.93 ALDH1A1 (0.39) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL19485744 0.91 ENPP2 (0.39) MAPK11MAPK14MAPK1PYGLS1PR1
SCHEMBL17834495 0.91 ENPP2 (0.39) MAPK11MAPK14MAPK1PYGLS1PR1
SCHEMBL17532293 0.89 ALDH1A1 (0.36) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL17468520 0.89 MAPK14 (0.35) CCR1MAPK11MAPK14PYGLS1PR1
SCHEMBL22167389 0.89 MAPK14 (0.35) CCR1MAPK11MAPK14PYGLS1PR1
SCHEMBL22167240 0.88 ALDH1A1 (0.35) CCR1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17532296 0.88 ALDH1A1 (0.35) CCR1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17834816 0.88 CCR1 (0.41) CCR1ALDH1A1LMNAMAPTMAPK14

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 CCR1 1262/4885ALDH1A1 4730/4885LMNA 2896/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CCR1 1262/4885ALDH1A1 4730/4885LMNA 2896/4885

“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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