SCHEMBL4401001

SCHEMBL4401001

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nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
GLP1R P43220 2/20 0.44
PSEN1 P49768 10/20 0.44
PSEN2 P49810 10/20 0.44
APH1B Q8WW43 10/20 0.44
NCSTN Q92542 10/20 0.44
APH1A Q96BI3 10/20 0.44
PSENEN Q9NZ42 10/20 0.44
ECE1 P42892 1/20 0.43
MUS81 Q96NY9 1/20 0.43
VIPR1 P32241 2/20 0.43
VIPR2 P41587 1/20 0.43

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
SCHEMBL4396809 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1GLP1RECE1
SCHEMBL4396699 0.92 OPRM1 (0.51) OPRM1OPRD1OPRK1GLP1RECE1
SCHEMBL13724097 0.91 PSEN1 (0.51) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL4092686 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724103 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722966 0.87 PSEN1 (0.49) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL16358277 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12293279 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13323741 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724091 0.87 PSEN1 (0.43) GLP1RPSEN1PSEN2APH1BNCSTN

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.