SCHEMBL17995201

SCHEMBL17995201

Cc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(C5CCCCC5)cc4)cn3)cc2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.44
▸ ITGA4 P13612 5/20 0.44
▸ ACE P12821 5/20 0.44
▸ MME P08473 4/20 0.44
▸ CPA1 P15085 4/20 0.44
▸ ACE2 Q9BYF1 4/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.39
▸ CCR1 P32246 1/20 0.39

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
SCHEMBL17834638 0.90 ITGB1 (0.40) ITGB1ITGA4ACEMMECPA1
SCHEMBL17834635 0.84 ITGB1 (0.40) ITGB1ITGA4ACEMMECPA1
SCHEMBL17834643 0.83 ITGB1 (0.40) ITGB1ITGA4ACEMMECPA1
SCHEMBL17834669 0.83 DGAT1 (0.41) ITGB1ITGA4ACEMMECPA1
SCHEMBL22448951 0.82 PTPN1 (0.46) ITGB1ITGA4ACEMMECPA1
SCHEMBL22449248 0.82 PTPN1 (0.46) ITGB1ITGA4ACEMMECPA1
SCHEMBL15037196 0.82 PTPN1 (0.46) ITGB1ITGA4ACEMMECPA1
SCHEMBL15037313 0.82 PTPN1 (0.46) ITGB1ITGA4ACEMMECPA1
SCHEMBL17834624 0.82 L3MBTL1 (0.41) ITGB1ITGA4ACEMMECPA1
SCHEMBL17995135 0.82 CA2 (0.46) ITGB1ITGA4PTPN1BCL2L1MCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ITGB1 3589/4885ITGA4 4651/4885ACE 3137/4885

“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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