SCHEMBL3093809

SCHEMBL3093809

CCOC(=O)C=C(C(=O)OCC)c1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
AHR P35869 1/20 0.44
NPC1 O15118 6/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14583961 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13180945 0.80 NPC1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3088448 0.80 NPC1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10746855 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5694725 0.77 NPSR1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5694726 0.77 NPSR1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30769665 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2647339 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4911670 0.74 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4911666 0.74 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1919908-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-14 EP disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, HTR3C MAPT 3151/4885ALDH1A1 2304/4885MEN1 4807/4885

“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.