SCHEMBL17834874

SCHEMBL17834874

CCC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(OCCCC(C)C)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 5/20 0.41
▸ HRH1 P35367 5/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ HRH3 Q9Y5N1 6/20 0.38
▸ RARB P10826 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ KLKB1 P03952 1/20 0.37

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
SCHEMBL17834591 0.93 S1PR1 (0.44) HRH2HRH1S1PR1S1PR5S1PR4
SCHEMBL17834825 0.93 S1PR1 (0.42) HRH2HRH1S1PR1S1PR5S1PR3
SCHEMBL17834743 0.92 S1PR1 (0.42) HRH2HRH1S1PR1S1PR5HRH3
SCHEMBL17834873 0.92 TAS1R3 (0.43) HRH2HRH1S1PR1S1PR5S1PR3
SCHEMBL17834883 0.92 GAA (0.44) HRH2HRH1S1PR1S1PR5HRH3
SCHEMBL17834871 0.92 S1PR1 (0.43) HRH2HRH1S1PR1S1PR5S1PR4
SCHEMBL17834885 0.90 S1PR1 (0.41) HRH2HRH1S1PR1S1PR5S1PR3
SCHEMBL17834741 0.90 S1PR1 (0.42) HRH2HRH1S1PR1S1PR5HRH3
SCHEMBL17834892 0.90 S1PR1 (0.42) HRH2HRH1S1PR1S1PR5S1PR4
SCHEMBL17834740 0.90 S1PR1 (0.41) HRH2HRH1S1PR1S1PR5HRH3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885S1PR1 486/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885S1PR1 486/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HRH2 469/4885HRH1 426/4885S1PR1 523/4885

“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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