SCHEMBL17968873

SCHEMBL17968873

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc4)nc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 6/20 0.41
▸ CTSL P07711 6/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ YAP1 P46937 1/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ RCOR1 Q9UKL0 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
SCHEMBL19465509 1.00 CTSB (0.41) CTSBCTSLBCL2CTSKCTSS
SCHEMBL17968874 1.00 CTSB (0.41) CTSBCTSLBCL2CTSKCTSS
SCHEMBL17968903 0.93 ITGB3 (0.42) CTSBCTSLBCL2CTSKCTSS
SCHEMBL17834702 0.93 ITGB3 (0.42) CTSBCTSLBCL2CTSKCTSS
SCHEMBL17968901 0.93 ITGB3 (0.42) CTSBCTSLBCL2CTSKCTSS
SCHEMBL17968761 0.92 CAPN1 (0.46) CTSLKDM1AMAOAKDM1BRCOR1
SCHEMBL17968760 0.92 CAPN1 (0.46) CTSLKDM1AMAOAKDM1BRCOR1
SCHEMBL17825398 0.92 CAPN1 (0.46) CTSLKDM1AMAOAKDM1BRCOR1
SCHEMBL17825399 0.92 CAPN1 (0.46) CTSLKDM1AMAOAKDM1BRCOR1
SCHEMBL17968792 0.87 ITGB3 (0.49) KDM1AMAOAKDM1BRCOR1

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 14 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
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-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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — 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-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
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — 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 (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 CTSB 1692/4885CTSL 1635/4885BCL2 514/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSB 1692/4885CTSL 1635/4885BCL2 514/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CTSB 1992/4885CTSL 1620/4885BCL2 420/4885

“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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