SCHEMBL17834702

SCHEMBL17834702

CCC1CCC(c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)OC(C)(C)C)cc4)nc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ YAP1 P46937 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CTSB P07858 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
SCHEMBL17968903 1.00 ITGB3 (0.42) ITGB3ITGA2BITGAVYAP1POLB
SCHEMBL17968901 1.00 ITGB3 (0.42) ITGB3ITGA2BITGAVYAP1POLB
SCHEMBL19465509 0.93 CTSB (0.41) YAP1BCL2CTSKCTSSCTSL
SCHEMBL17968874 0.93 CTSB (0.41) YAP1BCL2CTSKCTSSCTSL
SCHEMBL17968873 0.93 CTSB (0.41) YAP1BCL2CTSKCTSSCTSL
SCHEMBL22384149 0.91 EPHX1 (0.44) ITGB3ITGA2BITGAVPOLBMAPT
SCHEMBL17968791 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVCCR1KDM1A
SCHEMBL17968792 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVCCR1KDM1A
SCHEMBL17825541 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVCCR1KDM1A
SCHEMBL17968795 0.89 P2RX7 (0.43) ITGB3ITGA2BYAP1P2RX7CCR1

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-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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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 (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-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGAV 4625/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885ITGAV 4586/4885

“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.

Send feedback