SCHEMBL8418325

SCHEMBL8418325

CCC[C@H](NC(=O)C1CCN2CC(NC(=O)C(Cc3ccccc3)NC(=O)[C@@H](NC(=O)C(N)CCCCN)C(C)CC)C(=O)N12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 16/20 0.55
NTSR1 P30989 16/20 0.55
SORT1 Q99523 14/20 0.52
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BACE1 P56817 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
SCHEMBL8225101 0.97 NTSR2 (0.56) NTSR2NTSR1SORT1OPRM1OPRD1
SCHEMBL8414624 0.94 NTSR2 (0.51) NTSR2NTSR1SORT1OPRM1OPRD1
SCHEMBL8225148 0.93 NTSR2 (0.53) NTSR2NTSR1SORT1OPRM1OPRD1
SCHEMBL29494697 0.78 NTSR2 (0.63) NTSR2NTSR1SORT1OPRK1BACE1
SCHEMBL8225161 0.77 CALCRL (0.44) BACE1
SCHEMBL38652231 0.76 NTSR2 (0.54) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL29478299 0.76 NTSR2 (0.61) NTSR2NTSR1BACE1
SCHEMBL30799723 0.75 OPRK1 (0.57) NTSR2NTSR1OPRM1OPRD1OPRK1
SCHEMBL29447812 0.75 NTSR2 (0.69) NTSR2NTSR1SORT1OPRK1
SCHEMBL30607220 0.75 BACE1 (0.65) NTSR2NTSR1BACE1

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-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 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-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 NTSR2 4267/4885NTSR1 3582/4885SORT1 1539/4885

“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.