SCHEMBL17539172

SCHEMBL17539172

CC[C@H]1CC[C@H](C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(OC(C)(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 3/20 0.35
▸ HRH1 P35367 3/20 0.35
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ F2 P00734 3/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ITGB3 P05106 3/20 0.31
▸ ITGA2B P08514 3/20 0.31
▸ PYGL P06737 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 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
SCHEMBL17539170 0.92 S1PR4 (0.35) HRH2HRH1F2KMT2AITGB3
SCHEMBL17532351 0.91 S1PR4 (0.37) HRH2HRH1F2KMT2AITGB3
SCHEMBL22167262 0.91 S1PR1 (0.36) F2ACEKMT2AITGB3ITGA2B
SCHEMBL17532354 0.91 S1PR1 (0.36) F2ACEKMT2AITGB3ITGA2B
SCHEMBL17532352 0.91 NPC1 (0.38) F2ACEKMT2AITGB3ITGA2B
SCHEMBL22167429 0.91 NPC1 (0.38) F2ACEKMT2AITGB3ITGA2B
SCHEMBL17532350 0.90 MTTP (0.35) F2PYGLCTSL
SCHEMBL22167257 0.89 CCR1 (0.36) F2PYGL
SCHEMBL17532355 0.89 CCR1 (0.36) F2PYGL
SCHEMBL17532295 0.88 S1PR1 (0.38) HRH2HRH1PLGF2GAA

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 5 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-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-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 HRH2 769/4885HRH1 574/4885PLG 3026/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 769/4885HRH1 574/4885PLG 3026/4885

“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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