SCHEMBL31247966

SCHEMBL31247966

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.40
▸ OPRD1 P41143 5/20 0.40
▸ OPRK1 P41145 5/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ PSEN1 P49768 8/20 0.39
▸ PSEN2 P49810 8/20 0.39
▸ APH1B Q8WW43 8/20 0.39
▸ NCSTN Q92542 8/20 0.39
▸ APH1A Q96BI3 8/20 0.39
▸ PSENEN Q9NZ42 8/20 0.39
▸ CCKAR P32238 3/20 0.39
▸ CCKBR P32239 3/20 0.39
▸ REN P00797 1/20 0.38
▸ PSMB1 P20618 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ ACE P12821 1/20 0.37

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
SCHEMBL31247960 0.99 OPRD1 (0.40) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL31247969 0.98 ABCB1 (0.40) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL31247896 0.96 PSEN1 (0.40) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL31296842 0.95 CCKBR (0.41) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL38652065 0.95 PSEN1 (0.43) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL31456933 0.94 OPRM1 (0.39) OPRM1OPRD1OPRK1ABCB1PSEN1
SCHEMBL31518743 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31518747 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30930720 0.93 ACE (0.42) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31522801 0.92 ABCB1 (0.39) OPRD1ABCB1CCKARCCKBRREN

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-20240400613-A1 GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL IND LTD (IN) 2024-12-05 — — 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-20240400613-A1 GLP-1/GIP DUAL AGONISTS GLP1R, GIPR, GPR119 OPRM1 1484/4885OPRD1 1110/4885OPRK1 929/4885

“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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