SCHEMBL4396809

SCHEMBL4396809

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(O)c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(O)C(=O)O)[C@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
VIPR1 P32241 3/20 0.44
GLP1R P43220 3/20 0.44
VIPR2 P41587 3/20 0.44
TFPI P10646 1/20 0.44
ECE1 P42892 1/20 0.44
MUS81 Q96NY9 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
REN P00797 1/20 0.44
RXFP3 Q9NSD7 4/20 0.44
RXFP4 Q8TDU9 3/20 0.44

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
SCHEMBL4401001 0.93 OPRM1 (0.45) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL4082674 0.93 OPRM1 (0.46) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL4396699 0.93 OPRM1 (0.51) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL4089292 0.92 OPRM1 (0.48) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL4088339 0.90 KISS1R (0.49) VIPR1VIPR2TFPI
SCHEMBL4082481 0.89 OPRM1 (0.45) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL13723725 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL14404795 0.89 CTSB (0.44) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL13724636 0.89 CTSB (0.45) OPRM1OPRD1OPRK1VIPR1GLP1R
SCHEMBL4082915 0.88 REN (0.46) OPRM1OPRD1OPRK1VIPR1GLP1R

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-20090105119-A1 ASPARAGINE-10-SUBSTITUTED NONADEPSIPEPTIDES BAYER SCHERING PHARMA AG (DE) 2009-04-23 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-20090105119-A1 ASPARAGINE-10-SUBSTITUTED NONADEPSIPEPTIDES ASNS, DNPEP, ANPEP OPRM1 3788/4885OPRD1 3240/4885OPRK1 3793/4885

“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.