SCHEMBL16508488

SCHEMBL16508488

CCCCC[C@H](NC(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(C)=O)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.45
RAMP3 O60896 9/20 0.43
CALCR P30988 9/20 0.43
NAA50 Q9GZZ1 1/20 0.42
CAPN1 P07384 2/20 0.41
KEAP1 Q14145 2/20 0.40
BACE1 P56817 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NMUR2 Q9GZQ4 1/20 0.39
NMUR1 Q9HB89 1/20 0.39

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
SCHEMBL16508487 0.85 NAA50 (0.48) APLNRRAMP3CALCRNAA50CAPN1
SCHEMBL31542109 0.76 CAPN1 (0.47) RAMP3CALCRCAPN1KEAP1OPRM1
SCHEMBL16882431 0.75 CAPN1 (0.46) APLNRRAMP3CALCRCAPN1
SCHEMBL31542114 0.75 CAPN1 (0.50) RAMP3CALCRNAA50CAPN1KEAP1
SCHEMBL16508596 0.74 RAMP3 (0.53) APLNRRAMP3CALCR
SCHEMBL31542111 0.74 CAPN1 (0.43) RAMP3CALCRCAPN1
SCHEMBL31542106 0.74 RAMP3 (0.47) APLNRRAMP3CALCRNAA50CAPN1
SCHEMBL21514924 0.72 KEAP1 (0.52) APLNRRAMP3CALCRNAA50KEAP1
SCHEMBL12309129 0.72 TGM2 (0.47) NAA50OPRD1
SCHEMBL30608596 0.72 CAPN1 (0.49) RAMP3CALCRNAA50CAPN1NMUR2

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 APLNR 146/4885RAMP3 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.