SCHEMBL19544776

SCHEMBL19544776

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N4CCC(C(O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 5/20 0.45
▸ HRH1 P35367 5/20 0.45
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 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
SCHEMBL16306051 0.92 S1PR5 (0.47) HRH2HRH1PPARGPPARAITGB1
SCHEMBL16305691 0.90 S1PR5 (0.46) HRH2HRH1PPARGPPARAITGB1
SCHEMBL16306019 0.90 S1PR5 (0.46) HRH2HRH1PPARGPPARAITGB1
SCHEMBL19485554 0.89 HRH2 (0.41) HRH2HRH1PPARGPPARAPLG
SCHEMBL16343200 0.88 S1PR5 (0.45) HRH2HRH1PPARGPPARAPLG
SCHEMBL16294995 0.88 S1PR5 (0.45) HRH2HRH1PPARGPPARAPLG
SCHEMBL16305984 0.88 HRH2 (0.41) HRH2HRH1PPARGPPARAPLG
SCHEMBL16305515 0.88 HRH2 (0.42) HRH2HRH1PPARGPPARAPLG
SCHEMBL22384307 0.87 PPARG (0.43) HRH2HRH1PPARGPPARAPLG
SCHEMBL16305676 0.87 PPARG (0.42) HRH2HRH1PPARGPPARAPLG

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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R HRH2 530/4885HRH1 485/4885PPARG 317/4885

“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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