SCHEMBL17532290

SCHEMBL17532290

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(CC)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ MAPK14 Q16539 8/20 0.32
▸ DDR1 Q08345 3/20 0.32
▸ DDR2 Q16832 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK11 Q15759 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ MAP3K20 Q9NYL2 1/20 0.32
▸ MAP3K4 Q9Y6R4 1/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL17532291 0.95 S1PR1 (0.36) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL22167228 0.95 S1PR4 (0.35) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL22167480 0.95 S1PR1 (0.36) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL17532289 0.95 S1PR4 (0.35) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL17532298 0.95 PYGL (0.33) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL22167489 0.94 S1PR4 (0.36) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL17492911 0.94 S1PR4 (0.36) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL19181503 0.94 S1PR4 (0.36) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL22167389 0.94 MAPK14 (0.35) PYGLMAPK14DDR1DDR2NPC1
SCHEMBL17468520 0.94 MAPK14 (0.35) PYGLMAPK14DDR1DDR2NPC1

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 376/4885TAS1R3 147/4885TAS1R1 84/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885TAS1R3 147/4885TAS1R1 84/4885

“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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