SCHEMBL17642018

SCHEMBL17642018

CC(=O)C(CCCCN)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.43
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
PAOX Q6QHF9 3/20 0.40
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL13930214 1.00 CPB2 (0.43) CPB2GSRRNPEPPAOXGNAI3
SCHEMBL13131291 0.94 CPB2 (0.37) CPB2GSRRNPEPPAOXCHRNB2
SCHEMBL30759565 0.84 CPB2 (0.41) CPB2GSRRNPEPPAOXGNAI3
Acetic Acid SCHEMBL919117 0.84 CPB2 (0.49) CPB2GSRRNPEPPAOXCYP2D6
SCHEMBL20411610 0.83 GSR (0.42) CPB2GSRRNPEPPAOXGNAI3
SCHEMBL2280438 0.83 GSR (0.42) CPB2GSRRNPEPPAOXGNAI3
SCHEMBL20411609 0.83 GSR (0.42) CPB2GSRRNPEPPAOXGNAI3
SCHEMBL4735950 0.83 GSR (0.52) CPB2GSRRNPEPCYP2D6NFKB1
SCHEMBL181035 0.83 GSR (0.52) CPB2GSRRNPEPCYP2D6NFKB1
SCHEMBL20411601 0.83 GSR (0.42) CPB2GSRRNPEPPAOXGNAI3

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-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US disclosed
WO-2016196994-A9 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-02 WO disclosed
WO-2016196994-A1 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-08 WO disclosed
WO-2016046409-A1 NOVEL PEPTIDE DERIVATIVES AND USES THEREOF NOSOPHARM (FR) 2016-03-31 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 (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-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 CPB2 236/4885GSR 3570/4885RNPEP 58/4885

“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.