SCHEMBL30006262

SCHEMBL30006262

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 6/20 0.46
▸ NMUR1 Q9HB89 6/20 0.46
▸ CXCR4 P61073 3/20 0.46
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ EPHA2 P29317 1/20 0.40
▸ RAMP3 O60896 3/20 0.40
▸ CALCR P30988 3/20 0.40

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
SCHEMBL31655138 0.98 NMUR2 (0.43) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL31655366 0.96 NMUR2 (0.43) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL28356821 0.95 CXCR4 (0.47) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL31655163 0.93 CXCR4 (0.47) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL29374733 0.91 CXCR4 (0.45) NMUR2NMUR1CXCR4
SCHEMBL30275450 0.91 CXCR4 (0.46) NMUR2NMUR1CXCR4OPRD1
SCHEMBL29864927 0.90 OPRM1 (0.51) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL29864852 0.90 OPRM1 (0.51) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL29864866 0.90 OPRM1 (0.51) NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL38650715 0.89 CXCR4 (0.49) NMUR2NMUR1CXCR4OPRM1OPRD1

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-20220362381-A1 REMOTELY TRIGGERED THERAPY BAMBU VAULT LLC (US) 2022-11-17 — — 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-20220362381-A1 REMOTELY TRIGGERED THERAPY CD47, HSP90AA1, HSF1 NMUR2 3032/4885NMUR1 2929/4885CXCR4 840/4885

“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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