SCHEMBL30233449

SCHEMBL30233449

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.58
▸ OPRM1 P35372 4/20 0.57
▸ OPRD1 P41143 4/20 0.57
▸ C5AR1 P21730 2/20 0.55
▸ APLNR P35414 2/20 0.53
▸ F2 P00734 4/20 0.52

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
SCHEMBL30233337 0.96 CALCR (0.60) CALCROPRM1OPRD1C5AR1APLNR
SCHEMBL29842938 0.96 CALCR (0.58) CALCROPRM1OPRD1C5AR1APLNR
SCHEMBL30233460 0.96 CALCR (0.59) CALCROPRM1OPRD1C5AR1F2
SCHEMBL30233411 0.93 CALCR (0.63) CALCROPRM1OPRD1C5AR1F2
SCHEMBL29843080 0.93 CALCR (0.60) CALCROPRM1OPRD1C5AR1F2
SCHEMBL30753755 0.92 CALCR (0.62) CALCROPRM1OPRD1C5AR1F2
SCHEMBL30788341 0.92 CALCR (0.58) CALCROPRM1OPRD1C5AR1F2
SCHEMBL30233748 0.91 C5AR1 (0.59) CALCRC5AR1APLNR
SCHEMBL30753760 0.91 C5AR1 (0.64) CALCROPRM1OPRD1C5AR1APLNR
SCHEMBL29473717 0.89 CALCR (0.57) CALCROPRM1OPRD1C5AR1APLNR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY GLO PHARMA, INC. 2024-03-07 — — US disclosed
CN-115702161-A Peptide compositions and methods for inhibiting nicotinic acetylcholine receptor activity 格罗制药公司 2023-02-14 — — CN 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-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNB1, CHRNG, CHRNA1 CALCR 128/4885OPRM1 2825/4885OPRD1 2819/4885

“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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