SCHEMBL31433412

SCHEMBL31433412

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 5/20 0.58
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 6/20 0.53
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53
▸ OPRD1 P41143 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50

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
SCHEMBL31433175 0.94 APLNR (0.50) APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL31433179 0.92 RAMP3 (0.49) APLNROPRM1OPRK1
SCHEMBL31433264 0.91 CXCR4 (0.58) APLNR
SCHEMBL31433441 0.91 CXCR4 (0.58) APLNR
SCHEMBL31433189 0.90 IL23R (0.53) —
SCHEMBL31433182 0.88 APLNR (0.56) APLNROPRM1NMUR2NMUR1OPRD1
SCHEMBL31433319 0.88 IL23R (0.52) —
SCHEMBL31433237 0.88 NMUR2 (0.61) OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL31433350 0.88 CXCR4 (0.57) APLNR
SCHEMBL31433213 0.87 CXCR4 (0.59) —

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 APLNR 2565/4885OPRM1 2906/4885OPRK1 2687/4885

“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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