SCHEMBL30799508

SCHEMBL30799508

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.55
OPRM1 P35372 5/20 0.55
OPRK1 P41145 1/20 0.55
ENPEP Q07075 3/20 0.50
CASP1 P29466 1/20 0.50
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
LTA4H P09960 2/20 0.49
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NPY4R P50391 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL29991172 0.98 OPRD1 (0.54) OPRD1OPRM1OPRK1ENPEPCASP1
SCHEMBL6516934 0.94 BACE1 (0.57) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL30420544 0.92 OPRD1 (0.54) OPRD1OPRM1OPRK1CASP1BACE1
SCHEMBL29600830 0.92 OPRD1 (0.54) OPRD1OPRM1OPRK1CASP1BACE1
SCHEMBL29605141 0.90 BACE1 (0.60) OPRD1OPRM1OPRK1ENPEPBACE1
SCHEMBL30436583 0.90 BACE1 (0.60) OPRD1OPRM1OPRK1ENPEPBACE1
SCHEMBL30086863 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29822851 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL30799816 0.89 OPRD1 (0.47) OPRD1OPRM1OPRK1ENPEPBACE1
SCHEMBL30799740 0.88 LTA4H (0.58) OPRD1OPRM1OPRK1BACE1BACE2

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 4412/4885OPRM1 4382/4885OPRK1 3407/4885

“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.