SCHEMBL20900652

SCHEMBL20900652

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N4C[C@H](OC(C)(C)C)C[C@H]4C)cc3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.40
▸ HRH2 P25021 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ MCL1 Q07820 3/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 3/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ GCGR P47871 1/20 0.36
▸ TAOK3 Q9H2K8 1/20 0.36

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
SCHEMBL16305690 0.92 MCL1 (0.41) PLGHRH2HRH1MCL1PPARG
SCHEMBL16306192 0.90 S1PR5 (0.41) PLGHRH2HRH1PPARGPPARA
SCHEMBL16305927 0.86 MCL1 (0.40) PLGHRH2HRH1MCL1PPARG
SCHEMBL16305664 0.85 ACE (0.42) PLGHRH2HRH1PPARGPPARA
SCHEMBL22384286 0.85 PPARG (0.39) PLGHRH2HRH1PPARGPPARA
SCHEMBL16305673 0.85 ACE (0.42) PLGHRH2HRH1PPARGPPARA
SCHEMBL16305672 0.85 ACE (0.42) PLGHRH2HRH1PPARGPPARA
SCHEMBL16305678 0.85 ACE (0.42) PLGHRH2HRH1PPARGPPARA
SCHEMBL16305676 0.84 PPARG (0.42) PLGHRH2HRH1PPARGPPARA
SCHEMBL16294995 0.83 S1PR5 (0.45) PLGHRH2HRH1PPARGPPARA

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-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — 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-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PLG 2930/4885HRH2 469/4885HRH1 426/4885

“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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