SCHEMBL4086489

SCHEMBL4086489

C[C@H](O)[C@H](N)C(=O)NCC(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.46
OPRM1 P35372 5/20 0.46
OPRK1 P41145 1/20 0.46
CTSC P53634 4/20 0.45
LAP3 P28838 2/20 0.42
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
CTRB1 P17538 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL2574911 0.89 CTRB1 (0.50) OPRD1OPRM1OPRK1CTSCCTRB1
SCHEMBL2574907 0.89 CTRB1 (0.50) OPRD1OPRM1OPRK1CTSCCTRB1
SCHEMBL2498852 0.87 CTRB1 (0.48) OPRD1OPRM1OPRK1CTSCCTRB1
SCHEMBL4088898 0.82 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSC
SCHEMBL5323913 0.81 CTSC (0.55) CTSCCTRB1
SCHEMBL2196355 0.80 CTSC (0.43) OPRD1OPRM1OPRK1CTSCACE
SCHEMBL11863638 0.80 CTSC (0.62) CTSC
SCHEMBL11863650 0.80 CTSC (0.62) CTSC
SCHEMBL4087867 0.79 TERT (0.32) CTSC
SCHEMBL238636 0.79 OPRD1 (0.74) OPRD1OPRM1OPRK1

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST OPRD1 2570/4885OPRM1 1981/4885OPRK1 3341/4885

“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.