SCHEMBL8512783

SCHEMBL8512783

C=CN(C(C)=O)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.43
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
FOLH1 Q04609 1/20 0.33
GABRR1 P24046 2/20 0.32
PAOX Q6QHF9 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
CPB1 P15086 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
EPOR P19235 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL8513717 1.00 CPB2 (0.43) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL28720460 0.85 CPB2 (0.44) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL7593236 0.78 CPB2 (0.49) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL7593232 0.78 CPB2 (0.49) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL468723 0.76 CPB2 (0.47) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL8200953 0.76 CPB2 (0.51) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL19385944 0.76 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL15641942 0.76 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL15641943 0.76 RNPEP (0.50) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL468721 0.76 CPB2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 CPB2 2787/4885GSR 191/4885RNPEP 3969/4885

“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.