SCHEMBL17834741

SCHEMBL17834741

COc1ccc(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 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ HRH2 P25021 3/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ ITGB1 P05556 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39

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
SCHEMBL17834871 0.95 S1PR1 (0.43) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834825 0.94 S1PR1 (0.42) S1PR1S1PR5HRH3RARBHRH2
SCHEMBL17834873 0.94 TAS1R3 (0.43) S1PR1S1PR5HRH3RARBHRH2
SCHEMBL17834883 0.94 GAA (0.44) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834743 0.94 S1PR1 (0.42) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834740 0.93 S1PR1 (0.41) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834892 0.93 S1PR1 (0.42) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834885 0.92 S1PR1 (0.41) S1PR1S1PR5HRH3RARBHRH2
SCHEMBL17834886 0.92 HRH3 (0.41) S1PR1S1PR5ITGB3ITGA2BHRH3
SCHEMBL17834715 0.92 S1PR5 (0.47) S1PR1S1PR5ITGB3ITGA2BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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 S1PR1 486/4885S1PR5 889/4885ITGB3 4025/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR1 486/4885S1PR5 889/4885ITGB3 4025/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR S1PR1 523/4885S1PR5 939/4885ITGB3 3678/4885

“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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