SCHEMBL16508596

SCHEMBL16508596

CN[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAMP3 O60896 15/20 0.53
CALCR P30988 15/20 0.53
CALCA P06881 2/20 0.49
APLNR P35414 1/20 0.49

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
SCHEMBL30039271 0.82 OPRM1 (0.55) RAMP3CALCRAPLNR
SCHEMBL30390834 0.82 RAMP3 (0.63) RAMP3CALCR
SCHEMBL16811728 0.81 RAMP3 (0.52) RAMP3CALCR
SCHEMBL31386380 0.81 CXCR4 (0.56) RAMP3CALCRAPLNR
SCHEMBL31670625 0.81 RAMP3 (0.53) RAMP3CALCRCALCA
SCHEMBL30425495 0.81 CXCR4 (0.53)
SCHEMBL30884600 0.81 RAMP3 (0.59) RAMP3CALCR
SCHEMBL30847581 0.80 RAMP3 (0.60) RAMP3CALCR
SCHEMBL30099507 0.80 RAMP3 (0.57) RAMP3CALCR
SCHEMBL25475911 0.80 APLNR (0.50) RAMP3CALCRAPLNR

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 RAMP3 981/4885CALCR 1026/4885CALCA 2833/4885

“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.