SCHEMBL207149

SCHEMBL207149

CC(N)c1cc(CO)cc(C(C)N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRB1 P08588 1/20 0.31
MIF P14174 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
EGFR P00533 1/20 0.31
CSF1R P07333 1/20 0.31
TAAR1 Q96RJ0 3/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A2 P23975 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18765742 0.83 PRSS1 (0.44) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL209048 0.83 PRSS1 (0.44) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL6944692 0.80 ACHE (0.42) ACHEHIF1AKDM4EALDH1A1MAPT
SCHEMBL24008886 0.79 ADRB2 (0.48) ADRB2ADRA2AADRA2CLMNAHIF1A
SCHEMBL8638829 0.79 ADRB2 (0.48) ADRB2ADRA2AADRA2CLMNAHIF1A
SCHEMBL18426926 0.76 ADRB2 (0.50) ADRB2TAAR1SLC6A2
SCHEMBL1936039 0.76 ADRB2 (0.50) ADRB2TAAR1SLC6A2
SCHEMBL1754169 0.76 ADRB2 (0.50) ADRB2TAAR1SLC6A2
SCHEMBL18232468 0.75 ACHE (0.42) ACHEHIF1AKDM4EALDH1A1MAPT
SCHEMBL207218 0.74 TSHR (0.39) ADRB2ADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-12-18 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
EP-1638557-A4 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS UNIV TEL AVIV FUTURE TECH DEV (IL) 2007-11-07 EP disclosed
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed
US-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. 2006-03-30 US disclosed
EP-1638557-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2006-03-29 EP disclosed
WO-2005000192-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2005-01-06 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-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 GSK3A, GSK3B, PYGB ACHE 2318/4885ADRB2 3806/4885ADRA2A 3665/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP ACHE 1890/4885ADRB2 3970/4885ADRA2A 4181/4885

“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.