SCHEMBL29579768

SCHEMBL29579768

CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.60
▸ CTSD P07339 1/20 0.59
▸ OPRD1 P41143 1/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.52

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
SCHEMBL29579263 0.93 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30130349 0.90 BACE1 (0.60) BACE1CTSDOPRD1BACE2
SCHEMBL31554830 0.89 BACE1 (0.56) BACE1CTSDOPRD1BACE2
SCHEMBL30610768 0.89 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL30799685 0.87 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL30906334 0.86 OPRL1 (0.59) BACE1CTSDOPRD1
SCHEMBL29580110 0.84 BACE1 (0.56) BACE1CTSDOPRD1BACE2
SCHEMBL30974088 0.83 BACE1 (0.62) BACE1CTSDOPRD1
SCHEMBL31031476 0.83 BACE1 (0.54) BACE1CTSDOPRD1BACE2
SCHEMBL30607497 0.82 BACE1 (0.66) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 — — US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 — — 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 (2 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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP BACE1 464/4885CTSD 2260/4885OPRD1 4663/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP BACE1 464/4885CTSD 2260/4885OPRD1 4663/4885

“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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