SCHEMBL4093262

SCHEMBL4093262

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cccc(N)c1)C(O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.52
OPRD1 P41143 3/20 0.52
OPRK1 P41145 1/20 0.52
KISS1R Q969F8 5/20 0.50
VIPR1 P32241 3/20 0.47
ECE1 P42892 1/20 0.46
GLP1R P43220 1/20 0.46
MUS81 Q96NY9 1/20 0.46
VIPR2 P41587 3/20 0.46
KEAP1 Q14145 1/20 0.45

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
SCHEMBL4082449 0.99 OPRM1 (0.51) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL2367081 0.97 OPRM1 (0.55) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4087521 0.94 OPRM1 (0.49) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4092931 0.93 OPRM1 (0.49) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4088852 0.93 KISS1R (0.52) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4259922 0.92 OPRM1 (0.49) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4089292 0.91 OPRM1 (0.48) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4082741 0.90 KISS1R (0.50) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4082718 0.89 VIPR1 (0.45) OPRM1OPRD1OPRK1KISS1RVIPR1
SCHEMBL4082442 0.88 KISS1R (0.43) OPRM1OPRD1OPRK1KISS1RVIPR1

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 OPRM1 1981/4885OPRD1 2570/4885OPRK1 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.