SCHEMBL4082718

SCHEMBL4082718

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](Cc1cccc(N)c1)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](N)CC(C)(C)C)C(O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VIPR1 P32241 3/20 0.45
GLP1R P43220 3/20 0.45
ECE1 P42892 1/20 0.45
MUS81 Q96NY9 1/20 0.45
VIPR2 P41587 5/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KISS1R Q969F8 4/20 0.44
PTH1R Q03431 1/20 0.42
KEAP1 Q14145 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
SCHEMBL4087521 0.95 OPRM1 (0.49) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4092931 0.95 OPRM1 (0.49) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4259922 0.94 OPRM1 (0.49) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4082741 0.93 KISS1R (0.50) VIPR1GLP1RVIPR2OPRM1OPRD1
SCHEMBL4096715 0.93 REN (0.43) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4082915 0.90 REN (0.46) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL2367081 0.89 OPRM1 (0.55) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4082449 0.89 OPRM1 (0.51) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL4093262 0.89 OPRM1 (0.52) VIPR1GLP1RECE1MUS81VIPR2
SCHEMBL13722789 0.88 OPRM1 (0.48) VIPR1GLP1RECE1MUS81VIPR2

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 VIPR1 1436/4885GLP1R 712/4885ECE1 3037/4885

“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.