SCHEMBL30788337

SCHEMBL30788337

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 13/20 0.62
▸ C5AR1 P21730 2/20 0.61
▸ CTSL P07711 3/20 0.59
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ CTSH P09668 1/20 0.59
▸ KISS1R Q969F8 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
SCHEMBL10346018 0.88 CXCR4 (0.63) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL10346020 0.88 CXCR4 (0.63) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29754594 0.87 C5AR1 (0.70) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30165155 0.87 CXCR4 (0.53) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30577312 0.87 C5AR1 (0.63) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31591524 0.86 C5AR1 (0.65) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29551954 0.86 C5AR1 (0.53) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31483961 0.85 C5AR1 (0.59) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL7326493 0.85 CXCR4 (0.68) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30609008 0.85 C5AR1 (0.61) CXCR4C5AR1CTSLCTSSCTSK

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-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY GLO PHARMA, INC. 2024-03-07 — — 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-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNB1, CHRNG, CHRNA1 CXCR4 1494/4885C5AR1 52/4885CTSL 1982/4885

“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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