SCHEMBL8047752

SCHEMBL8047752

CCN(CCN(CC(=O)OC(C)(C)C)CC(C(=O)NCCN(CCNC(=O)C(CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8256197 0.96 TDP1 (0.35) KDM4ELMNACHRM2ADRA2AALOX15
SCHEMBL8056845 0.92
SCHEMBL8057742 0.85
SCHEMBL14439206 0.83
SCHEMBL8057950 0.81
SCHEMBL8058659 0.81 CTSS (0.30)
SCHEMBL14439275 0.79 NR1D1 (0.31) TDP1
SCHEMBL8061701 0.79 NR1D1 (0.31) TDP1
SCHEMBL7129262 0.79 TDP1 (0.47) KDM4ELMNACHRM2ADRA2AALOX15
SCHEMBL14454392 0.77

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (2 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA KDM4E 4774/4885LMNA 3453/4885CHRM2 4476/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA KDM4E 4774/4885LMNA 3453/4885CHRM2 4476/4885

“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.