SCHEMBL6739029

SCHEMBL6739029

CC(=O)N(CCN)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.45
GSR P00390 1/20 0.44
RNPEP Q9H4A4 1/20 0.43
FOLH1 Q04609 1/20 0.35
GABRR1 P24046 2/20 0.34
PAOX Q6QHF9 1/20 0.34
F2 P00734 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CHRM2 P08172 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CPB1 P15086 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
SCHEMBL15641942 0.82 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL15641943 0.82 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL19385944 0.82 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
Acetic Acid SCHEMBL919117 0.80 CPB2 (0.49) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL27203661 0.80 GABRR1 (0.33) GABRR1
SCHEMBL7593236 0.80 CPB2 (0.49) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL7593232 0.80 CPB2 (0.49) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL27207370 0.80 GABRR1 (0.33) GABRR1
SCHEMBL4735950 0.80 GSR (0.52) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL181035 0.80 GSR (0.52) CPB2GSRRNPEPFOLH1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686442-B2 PEPTIDE NUCLEIC ACID FOR USE IN VETERINARY MEDICINE Neilsen, Peter E. (DK) 2004-02-03 US disclosed
US-20030207804-A1 Modified peptide nucleic acids ISIS PHARMACEUTICALS, INC. 2003-11-06 US disclosed
US-20020188101-A1 Conjugated peptide nucleic acids having enhanced cellular uptake ISIS PHARMACEUTICALS, INC. 2002-12-12 US disclosed
WO-2002097134-A2 MODIFIED PEPTIDE NUCLEIC ACID ISIS PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
EP-1003480-A4 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE NIELSEN PETER EIGIL (DK) 2002-04-17 EP disclosed
US-6350853-B1 PEPTIDE NUCLEIC ACIDS CONJUGATED TO LIPOPHILIC GROUP AND HAVING MODIFIED BACKBONE WHEREIN AMINO ACID SIDE CHAIN IS ATTACHED TO BACKBONE Nielsen, Peter E. (DK) 2002-02-26 US disclosed
EP-1003480-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE NIELSEN, Peter Eigil (DK) 2000-05-31 EP disclosed
WO-1998053801-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE ISIS PHARMACEUTICALS, INC. (US) 1998-12-03 WO 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-20030207804-A1 Modified peptide nucleic acids NGLY1, PARN, NPPA CPB2 966/4885GSR 3847/4885RNPEP 28/4885
US-20020188101-A1 Conjugated peptide nucleic acids having enhanced cellular uptake SLC1A5, SLC7A1, SLC29A1 CPB2 1897/4885GSR 2739/4885RNPEP 166/4885

“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.