SCHEMBL207150

SCHEMBL207150

NCCc1cc(CO)cc(CCN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.44
KDM4E B2RXH2 3/20 0.44
ADRA2A P08913 3/20 0.44
SLC6A2 P23975 3/20 0.44
DRD2 P14416 3/20 0.44
DRD1 P21728 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 2/20 0.44
MAPT P10636 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
MAPK1 P28482 2/20 0.44
DRD3 P35462 2/20 0.44
RECQL P46063 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TP53 P04637 1/20 0.44
ADRB2 P07550 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL28837338 1.00 TAAR1 (0.44) TAAR1KDM4EADRA2ASLC6A2DRD2
SCHEMBL64200 0.85 TAAR1 (0.53) TAAR1KDM4EADRA2ASLC6A2DRD2
SCHEMBL30481325 0.80 TAAR1 (0.63) TAAR1KDM4EADRA2ASLC6A2DRD2
SCHEMBL207005 0.80 TAAR1 (0.63) TAAR1KDM4EADRA2ASLC6A2DRD2
Hydrochloric Acid SCHEMBL10861722 0.79 TAAR1 (0.61) TAAR1KDM4EADRA2ASLC6A2DRD2
SCHEMBL63159 0.78 ACHE (0.62) KDM4EMAPTRECQLACHE
SCHEMBL1936040 0.78 TAAR1 (0.64) TAAR1KDM4EADRA2ASLC6A2DRD2
SCHEMBL8814719 0.77 ACHE (0.48) KDM4EALDH1A1ACHELOXL2SMN1; SMN2
SCHEMBL10167473 0.77 ACHE (0.48) KDM4EALDH1A1ACHELOXL2SMN1; SMN2
Hydrochloric Acid SCHEMBL10488347 0.76 BLM (0.65) TAAR1KDM4EADRA2ASLC6A2DRD2

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 15 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-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed
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-20080312188-A1 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-12-18 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
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 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 TAAR1 3883/4885KDM4E 3602/4885ADRA2A 3665/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP TAAR1 4877/4885KDM4E 2271/4885ADRA2A 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.