SCHEMBL17532294

SCHEMBL17532294

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C6(C)CC6)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.33
▸ MAPK14 Q16539 12/20 0.33
▸ MAPK11 Q15759 3/20 0.33
▸ CTSL P07711 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ DDR1 Q08345 3/20 0.32
▸ DDR2 Q16832 3/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ MAP3K20 Q9NYL2 1/20 0.31
▸ MAP3K4 Q9Y6R4 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ PYGL P06737 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
SCHEMBL17532290 0.92 PYGL (0.33) MAPK14MAPK11DDR1DDR2ABL1
SCHEMBL22167480 0.91 S1PR1 (0.36) MAPK14MAPK11DDR1DDR2PYGL
SCHEMBL17532289 0.91 S1PR4 (0.35) MAPK14MAPK11DDR1DDR2ABL1
SCHEMBL17532291 0.91 S1PR1 (0.36) MAPK14MAPK11DDR1DDR2PYGL
SCHEMBL17532298 0.91 PYGL (0.33) MAPK14MAPK11CTSLCTSSDDR1
SCHEMBL22167228 0.91 S1PR4 (0.35) MAPK14MAPK11DDR1DDR2ABL1
SCHEMBL22167389 0.91 MAPK14 (0.35) MAPK14MAPK11CTSLCTSSDDR1
SCHEMBL22167489 0.91 S1PR4 (0.36) MAPK14MAPK11DDR1DDR2PYGL
SCHEMBL17492911 0.91 S1PR4 (0.36) MAPK14MAPK11DDR1DDR2PYGL
SCHEMBL19181503 0.91 S1PR4 (0.36) MAPK14MAPK11DDR1DDR2PYGL

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 ACE2 4098/4885MAPK14 1911/4885MAPK11 1766/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE2 4098/4885MAPK14 1911/4885MAPK11 1766/4885

“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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