SCHEMBL3568752

SCHEMBL3568752

O=CCCn1cc(-c2cccnc2Cl)c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
DRD1 P21728 8/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
GSK3B P49841 2/20 0.33
DAO P14920 2/20 0.33
PRKCA P17252 1/20 0.33
BTK Q06187 1/20 0.33
MET P08581 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL3566933 0.82 PRMT5 (0.37) DRD1PRKCGPRKCBGSK3BDAO
SCHEMBL3560418 0.80 ADORA1 (0.40) ADORA1DRD1CYP1A2CYP2C19PRKCB
SCHEMBL3558215 0.80 HPGD (0.33) DRD1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3563951 0.79 DRD1 (0.36) DRD1CYP1A2CYP2C19MET
SCHEMBL15196035 0.77 ADORA1 (0.41) ADORA1DRD1CYP1A2CYP2C19BTK
SCHEMBL3556887 0.77 MET (0.34) DAOMET
SCHEMBL3566270 0.76 CYP1A2 (0.35) DRD1CYP1A2CYP2C19DAONPC1
Hydrochloric Acid SCHEMBL3564452 0.76 MET (0.33) DAOMET
SCHEMBL3557600 0.73 TNKS (0.36) GSK3BDAO
SCHEMBL3563252 0.73 ALDH1A1 (0.35) DRD1CYP1A2CYP2C19DAOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
CN-101460485-A Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptor GLAXO GROUP LTD (GB) 2009-06-17 CN disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 ADORA1 95/4885DRD1 1065/4885CYP1A2 244/4885

“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.