SCHEMBL16508487

SCHEMBL16508487

CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)CC(C)C)[C@@H](C)O)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(N)=O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 1/20 0.48
RAMP3 O60896 14/20 0.46
CALCR P30988 14/20 0.46
CAPN1 P07384 2/20 0.43
APLNR P35414 1/20 0.41
NTSR1 P30989 1/20 0.40
NMUR2 Q9GZQ4 1/20 0.40
NMUR1 Q9HB89 1/20 0.40

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
SCHEMBL16508488 0.85 APLNR (0.45) NAA50RAMP3CALCRCAPN1APLNR
SCHEMBL31542106 0.80 RAMP3 (0.47) NAA50RAMP3CALCRCAPN1APLNR
SCHEMBL31542114 0.78 CAPN1 (0.50) NAA50RAMP3CALCRCAPN1
SCHEMBL31542115 0.78 CAPN1 (0.51) NAA50RAMP3CALCRCAPN1
SCHEMBL16508596 0.76 RAMP3 (0.53) RAMP3CALCRAPLNR
SCHEMBL29388041 0.75 NPY2R (0.49) CALCR
SCHEMBL32674582 0.74 RAMP3 (0.53) RAMP3CALCRNMUR2NMUR1
SCHEMBL30608596 0.74 CAPN1 (0.49) NAA50RAMP3CALCRCAPN1NTSR1
SCHEMBL31542111 0.73 CAPN1 (0.43) RAMP3CALCRCAPN1
SCHEMBL30974089 0.73 RAMP3 (0.49) RAMP3CALCRNMUR2NMUR1

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 NAA50 3183/4885RAMP3 981/4885CALCR 1026/4885

“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.