SCHEMBL17834658

SCHEMBL17834658

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C)s5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.39
▸ KIFC1 Q9BW19 2/20 0.38
▸ ITGB1 P05556 6/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ ITGB3 P05106 5/20 0.35
▸ ITGAV P06756 5/20 0.35
▸ ITGA2B P08514 5/20 0.35
▸ ITGA5 P08648 5/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ ITGB5 P18084 4/20 0.35
▸ MME P08473 7/20 0.35
▸ ACE P12821 5/20 0.35
▸ CPA1 P15085 5/20 0.35
▸ ACE2 Q9BYF1 5/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ SLC8A1 P32418 1/20 0.34

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
SCHEMBL17834682 0.90 C3AR1 (0.37) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17834797 0.90 DGAT1 (0.37) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17834789 0.90 KIFC1 (0.41) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17825448 0.90 KIFC1 (0.38) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17825447 0.90 KIFC1 (0.38) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17825449 0.90 KIFC1 (0.38) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17834920 0.90 KIFC1 (0.38) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17834638 0.86 ITGB1 (0.40) ITGB1ITGA4ITGB3ITGAVITGA2B
SCHEMBL17834641 0.86 MME (0.35) KIFC1ITGB1ITGA4ITGB7ITGB3
SCHEMBL17834635 0.85 ITGB1 (0.40) ITGB1ITGA4ITGB3ITGAVITGA2B

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 HPGDS 4308/4885KIFC1 4738/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HPGDS 4308/4885KIFC1 4738/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR HPGDS 4171/4885KIFC1 4749/4885ITGB1 3369/4885

“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