SCHEMBL17834921

SCHEMBL17834921

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5cnc(C6CC6)nc5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.37
▸ ACE P12821 9/20 0.37
▸ ACE2 Q9BYF1 9/20 0.37
▸ CPA1 P15085 8/20 0.37
▸ ITGB1 P05556 4/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGAV P06756 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ ITGA5 P08648 2/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ AGTR2 P50052 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL17834791 0.91 MME (0.38) MMEACEACE2CPA1ITGB1
SCHEMBL17834635 0.90 ITGB1 (0.40) MMEACEACE2CPA1ITGB1
SCHEMBL17834643 0.90 ITGB1 (0.40) MMEACEACE2CPA1ITGB1
SCHEMBL17834638 0.90 ITGB1 (0.40) MMEACEACE2CPA1ITGB1
SCHEMBL17834669 0.90 DGAT1 (0.41) MMEACEACE2CPA1ITGB1
SCHEMBL17834928 0.89 MME (0.38) MMEACEACE2CPA1ITGB1
SCHEMBL17995135 0.89 CA2 (0.46) ITGB1ROCK2ITGA4PTPN1
SCHEMBL17834624 0.89 L3MBTL1 (0.41) MMEACEACE2CPA1ITGB1
SCHEMBL17834647 0.88 ITGB1 (0.40) MMEACEACE2CPA1ITGB1
SCHEMBL17834788 0.88 L3MBTL1 (0.40) MMEACEACE2ITGB1ITGB3

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 MME 796/4885ACE 3137/4885ACE2 3162/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MME 796/4885ACE 3137/4885ACE2 3162/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MME 919/4885ACE 2924/4885ACE2 3115/4885

“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