SCHEMBL31433218

SCHEMBL31433218

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.57
▸ OPRM1 P35372 4/20 0.57
▸ KEAP1 Q14145 2/20 0.55
▸ NMUR2 Q9GZQ4 4/20 0.53
▸ NMUR1 Q9HB89 4/20 0.53
▸ CXCR4 P61073 2/20 0.52
▸ CALCR P30988 1/20 0.51
▸ F2 P00734 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
SCHEMBL31433182 0.91 APLNR (0.56) OPRD1OPRM1NMUR2NMUR1CALCR
SCHEMBL31433200 0.88 RAMP3 (0.51) OPRD1OPRM1NMUR2NMUR1CXCR4
SCHEMBL29656041 0.87 OPRD1 (0.61) OPRD1OPRM1KEAP1CALCR
SCHEMBL31433330 0.87 CXCR4 (0.64) CXCR4
SCHEMBL29856023 0.86 CALCR (0.61) OPRD1OPRM1CALCR
SCHEMBL30842156 0.86 NMUR2 (0.65) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL29655865 0.86 OPRD1 (0.61) OPRD1OPRM1CALCR
SCHEMBL29695551 0.86 CALCR (0.62) OPRD1OPRM1KEAP1CALCR
SCHEMBL29440484 0.85 KEAP1 (0.60) OPRD1OPRM1KEAP1NMUR2NMUR1
SCHEMBL30586607 0.85 OPRD1 (0.54) OPRD1OPRM1CALCRF2

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 OPRD1 3640/4885OPRM1 2906/4885KEAP1 947/4885

“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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