SCHEMBL30440169

SCHEMBL30440169

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.60
▸ NMUR2 Q9GZQ4 5/20 0.55
▸ NMUR1 Q9HB89 5/20 0.55
▸ OPRM1 P35372 5/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ KDM1A O60341 2/20 0.51
▸ APLNR P35414 1/20 0.49
▸ CXCR4 P61073 2/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49

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
SCHEMBL29865371 0.93 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29865208 0.93 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864827 0.93 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864813 0.93 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864890 0.93 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29865057 0.93 OPRM1 (0.56) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29865201 0.93 OPRM1 (0.56) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31323240 0.92 EPHA2 (0.59) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30302482 0.89 NMUR2 (0.62) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864816 0.88 OPRM1 (0.59) EPHA2NMUR2NMUR1OPRM1OPRD1

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-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions KINETA CHRONIC PAIN, LLC (US) 2023-03-28 — — 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-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions CHRNG, CHRNA9, CHRNA10 EPHA2 1962/4885NMUR2 222/4885NMUR1 110/4885

“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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