SCHEMBL4082915

SCHEMBL4082915

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)OCc1ccccc1)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 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.46
ECE1 P42892 1/20 0.44
GLP1R P43220 1/20 0.44
MUS81 Q96NY9 1/20 0.44
VIPR2 P41587 5/20 0.44
VIPR1 P32241 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KISS1R Q969F8 1/20 0.43
PTH1R Q03431 2/20 0.43
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
SLC2A1 P11166 2/20 0.42

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
SCHEMBL4096715 0.97 REN (0.43) RENECE1GLP1RMUS81VIPR2
SCHEMBL4089292 0.95 OPRM1 (0.48) RENECE1GLP1RMUS81VIPR1
SCHEMBL4088339 0.93 KISS1R (0.49) VIPR2VIPR1KISS1R
SCHEMBL4082674 0.92 OPRM1 (0.46) RENECE1GLP1RMUS81VIPR2
SCHEMBL4087521 0.92 OPRM1 (0.49) ECE1GLP1RMUS81VIPR2VIPR1
SCHEMBL13723083 0.92 VIPR1 (0.45) RENECE1GLP1RMUS81VIPR2
SCHEMBL4082481 0.92 OPRM1 (0.45) RENECE1GLP1RMUS81VIPR1
SCHEMBL4088444 0.90 KISS1R (0.47) GLP1RVIPR2VIPR1KISS1R
SCHEMBL4082718 0.90 VIPR1 (0.45) ECE1GLP1RMUS81VIPR2VIPR1
SCHEMBL13723783 0.89 GLP1R (0.42) ECE1GLP1RMUS81VIPR2VIPR1

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 REN 1728/4885ECE1 3037/4885GLP1R 712/4885

“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.