SCHEMBL30799542

SCHEMBL30799542

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.55
▸ OPRM1 P35372 2/20 0.55
▸ GHSR Q92847 3/20 0.55
▸ CCKAR P32238 1/20 0.55
▸ CCKBR P32239 1/20 0.55
▸ ACE P12821 2/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ LTA4H P09960 1/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51

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
SCHEMBL30799526 0.91 ERAP2 (0.60) OPRD1OPRM1GHSRCCKBRERAP2
SCHEMBL30799826 0.91 GHSR (0.57) OPRD1OPRM1GHSRCCKARCCKBR
SCHEMBL30799856 0.90 CCKBR (0.57) OPRD1GHSRCCKARCCKBRERAP2
SCHEMBL30799516 0.90 CCKBR (0.57) OPRD1GHSRCCKARCCKBRERAP2
SCHEMBL30799582 0.89 OPRD1 (0.56) OPRD1OPRM1GHSRCCKARCCKBR
SCHEMBL30799750 0.89 MMP9 (0.59) OPRD1OPRM1GHSRACEERAP2
SCHEMBL30799591 0.86 BACE1 (0.56) —
SCHEMBL30052393 0.85 OPRM1 (0.66) OPRD1OPRM1GHSRACELTA4H
SCHEMBL29704583 0.85 ACE (0.67) OPRD1OPRM1ACELTA4H
SCHEMBL29636478 0.85 ACE (0.67) OPRD1OPRM1ACELTA4H

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 4382/4885GHSR 1194/4885

“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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