SCHEMBL16508592

SCHEMBL16508592

CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.49
OPRK1 P41145 12/20 0.49
NMUR2 Q9GZQ4 3/20 0.46
NMUR1 Q9HB89 3/20 0.46
APLNR P35414 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
RAMP3 O60896 2/20 0.43
CALCR P30988 2/20 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
SCHEMBL16508529 0.93 OPRM1 (0.57) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL16508479 0.90 OPRM1 (0.51) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL16508575 0.87 OPRM1 (0.56) OPRM1OPRK1APLNR
SCHEMBL16508578 0.86 OPRM1 (0.49) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL16508495 0.86 OPRM1 (0.49) OPRM1OPRK1NMUR2NMUR1APLNR
SCHEMBL16508551 0.86 OPRM1 (0.56) OPRM1OPRK1APLNR
SCHEMBL16508494 0.84 OPRM1 (0.51) OPRM1OPRK1APLNR
SCHEMBL31088262 0.84 RAMP3 (0.48) OPRM1OPRK1NMUR2NMUR1MAPK8
SCHEMBL16508585 0.83 OPRM1 (0.52) OPRM1OPRK1APLNR
SCHEMBL30495666 0.83 NMUR2 (0.46) OPRM1OPRK1NMUR2NMUR1MAPK8

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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 OPRM1 1105/4885OPRK1 456/4885NMUR2 2266/4885

“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.