SCHEMBL18047565

SCHEMBL18047565

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ MME P08473 1/20 0.53
▸ BACE1 P56817 12/20 0.51
▸ CTSD P07339 1/20 0.50
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL30475527 0.95 MME (0.56) OPRM1OPRD1MMEBACE1CTSD
SCHEMBL30475525 0.95 MME (0.56) OPRM1OPRD1MMEBACE1CTSD
SCHEMBL30475526 0.95 MME (0.56) OPRM1OPRD1MMEBACE1CTSD
SCHEMBL18047563 0.92 BACE1 (0.56) OPRM1OPRD1MMEBACE1CTSD
SCHEMBL30273399 0.89 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL30390471 0.89 MME (0.58) OPRM1OPRD1MMEBACE1CTSD
SCHEMBL31343151 0.89 MME (0.55) OPRM1OPRD1MMEBACE1BACE2
SCHEMBL31215109 0.88 OPRD1 (0.62) OPRM1OPRD1MME
SCHEMBL30735658 0.88 OPRD1 (0.62) OPRM1OPRD1MME
SCHEMBL30799525 0.88 BACE1 (0.58) BACE1CTSDBACE2

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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 — — 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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 OPRM1 3822/4885OPRD1 4036/4885MME 254/4885

“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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