SCHEMBL3100232

SCHEMBL3100232

CCOC(=O)C=C(C(=O)OCC)c1cccc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
NR4A1 P22736 1/20 0.39
ESR2 Q92731 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL13069262 1.00 NSD2 (0.43) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4837150 0.82 NSD2 (0.49) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5669102 0.79 TSHR (0.54) NSD2MAPTKMT2AMEN1ALDH1A1
SCHEMBL4840028 0.78 NSD2 (0.45) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4840021 0.78 NSD2 (0.45) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL23611791 0.77 NSD2 (0.44) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8432138 0.75 NPSR1 (0.49) MAPTCYP1A2MAPK1CYP2C19NPSR1
SCHEMBL3100238 0.75 NSD2 (0.45) NSD2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3093809 0.73 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL14583961 0.73 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2C19NPSR1

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 NSD2 2586/4885MAPT 3151/4885CYP1A2 735/4885

“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.