SCHEMBL3558259

SCHEMBL3558259

COC(CCn1cc(-c2cccnc2F)c(=O)[nH]c1=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.35
HTT P42858 1/20 0.35
MET P08581 2/20 0.35
BACE1 P56817 8/20 0.34
CTSD P07339 7/20 0.34
BACE2 Q9Y5Z0 7/20 0.34
TK2 O00142 2/20 0.34
DRD1 P21728 2/20 0.33
GRIA2 P42262 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP1 O94782 1/20 0.33
KMO O15229 1/20 0.32
REN P00797 1/20 0.32
PRKCB P05771 1/20 0.32
GSK3B P49841 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
SCHEMBL3560418 0.86 ADORA1 (0.40) TK1HTTMETDRD1KMO
SCHEMBL14396457 0.86 TK1 (0.35) TK1HTTMETTK2DRD1
SCHEMBL3568995 0.84 MET (0.37) TK1HTTMETDRD1
SCHEMBL3554398 0.82 HTT (0.35) TK1HTTMETTK2
SCHEMBL3562463 0.81 HTT (0.34) TK1HTTMETDRD1
SCHEMBL3559062 0.81 MET (0.37) TK1HTTMETTK2
SCHEMBL3567537 0.81 TNKS (0.41) TK1HTTTK2GRIA2GSK3B
SCHEMBL3561317 0.80 TK2 (0.38) TK1TK2USP1KMOPRKCB
SCHEMBL3568151 0.77 TK1 (0.35) TK1HTTMETTK2
SCHEMBL3568177 0.76 HTT (0.38) TK1HTTMET

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 10 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
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
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 TK1 386/4885HTT 2295/4885MET 3527/4885

“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.