SCHEMBL17834646

SCHEMBL17834646

CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc([C@H]5CC[C@H](CC)CC5)cc4)cn3)cc2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 5/20 0.44
▸ GPR132 Q9UNW8 1/20 0.43
▸ ITGB1 P05556 7/20 0.42
▸ ITGA5 P08648 4/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ ITGA4 P13612 3/20 0.42
▸ ACACB O00763 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ KLKB1 P03952 1/20 0.40

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
SCHEMBL22384492 1.00 ITGB3 (0.44) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834684 0.90 GPR132 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834624 0.90 L3MBTL1 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834635 0.90 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834669 0.89 DGAT1 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834638 0.89 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834643 0.89 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL19481403 0.89 GPR132 (0.46) ITGB3ITGA2BGPR132ITGB1ITGA4
SCHEMBL17995135 0.88 CA2 (0.46) GPR132ITGB1ITGA4CA2
SCHEMBL17834647 0.88 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5

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 ITGB3 4025/4885ITGA2B 4142/4885GPR132 178/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885GPR132 178/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885GPR132 228/4885

“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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