SCHEMBL2745191

SCHEMBL2745191

Cc1nc(C)c(-c2cn(CCC=O)c(=O)[nH]c2=O)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
COMT P21964 2/20 0.33
MAPT P10636 1/20 0.33
PLAT P00750 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
LMNA P02545 2/20 0.32
TYMP P19971 1/20 0.32
TK1 P04183 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 3/20 0.30
CYP2C19 P33261 3/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2745920 0.81 CYP2C9 (0.40) CYP2C9KMT2ACOMTMAPTTK1
SCHEMBL2745384 0.81 MAPT (0.32) CYP2C9KMT2AMAPTLMNATYMP
SCHEMBL2745910 0.80 HTT (0.37) CYP2C9KMT2ACOMTMAPTPLAT
SCHEMBL2745270 0.79 MAPT (0.32) CYP2C9KMT2AMAPTLMNATYMP
SCHEMBL2745109 0.79 KMT2A (0.35) CYP2C9KMT2AMAPTLMNATYMP
SCHEMBL3557780 0.79 MAPK1 (0.35) TYMPTK1ALDH1A1MAPK1HPGD
SCHEMBL3560384 0.78 LMNA (0.33) CYP2C9KMT2AMAPTLMNATYMP
SCHEMBL3558215 0.74 HPGD (0.33) CYP2C9KMT2AMAPTALDH1A1HTT
SCHEMBL3560668 0.74 LMNA (0.35) CYP2C9KMT2AMAPTLMNAALDH1A1
SCHEMBL2745666 0.73 MAPT (0.32) CYP2C9KMT2AMAPTLMNATYMP

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-2203445-B1 AZABICYCLO Ý3. 1. O¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-11-27 EP disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
EP-2203445-A1 AZABICYCLO Ý3. 1. O¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS Glaxo Group Limited (GB) 2010-07-07 EP disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 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-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, DRD5 CYP2C9 1455/4885KMT2A 3531/4885COMT 764/4885

“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.