SCHEMBL30799434

SCHEMBL30799434

C[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.45
▸ GLP1R P43220 3/20 0.42
▸ SCTR P47872 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ SLC6A2 P23975 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ REN P00797 1/20 0.39
▸ CALCRL Q16602 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
SCHEMBL30799847 0.91 BACE1 (0.52) BACE1CTSDCALCRL
SCHEMBL30799665 0.89 BACE1 (0.51) BACE1CTSDSLC6A2
SCHEMBL30799588 0.88 BACE1 (0.51) BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL30799567 0.87 BACE1 (0.48) BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL30799707 0.86 BACE1 (0.53) BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL30799513 0.82 BACE1 (0.49) BACE1CTSDOPRM1OPRD1CALCRL
SCHEMBL30799759 0.82 BACE1 (0.52) BACE1CTSDOPRM1OPRD1OPRK1
SCHEMBL31181265 0.82 GLP1R (0.42) GLP1RSCTROPRM1OPRD1OPRK1
SCHEMBL30261968 0.82 BACE1 (0.39) BACE1CTSDSLC6A2
SCHEMBL30799841 0.82 BACE1 (0.53) BACE1CTSDOPRM1OPRD1OPRK1

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 BACE1 10/4885GLP1R 21/4885SCTR 143/4885

“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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