SCHEMBL30799540

SCHEMBL30799540

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.54
BACE1 P56817 9/20 0.53
BACE2 Q9Y5Z0 1/20 0.51
CTSD P07339 1/20 0.49
CASP1 P29466 1/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 1/20 0.48
KISS1R Q969F8 3/20 0.47

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
SCHEMBL30799455 0.92 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL30252365 0.91 MME (0.51) OPRD1BACE1OPRM1KISS1R
SCHEMBL29697013 0.91 MME (0.51) OPRD1BACE1OPRM1KISS1R
SCHEMBL31482984 0.90 KISS1R (0.57) OPRD1BACE1BACE2CTSDOPRM1
SCHEMBL30799878 0.90 OPRD1 (0.58) OPRD1BACE1BACE2CTSDOPRM1
SCHEMBL30799534 0.89 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29528212 0.89 OPRD1 (0.57) OPRD1OPRM1OPRK1KISS1R
SCHEMBL30799630 0.89 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL31406596 0.88 KISS1R (0.53) OPRD1BACE1CTSDOPRM1OPRK1
SCHEMBL29600830 0.88 OPRD1 (0.54) OPRD1BACE1CASP1OPRM1OPRK1

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 OPRD1 4412/4885BACE1 10/4885BACE2 38/4885

“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.