SCHEMBL2745666

SCHEMBL2745666

Cc1oncc1-c1cn(CCC=O)c(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TYMP P19971 1/20 0.32
TK1 P04183 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
MAPK1 P28482 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
SCHEMBL10107956 0.87 TK1 (0.34) TK1ALDH1A1MAPK1
SCHEMBL3560818 0.77 TK2 (0.38) TYMPTK1ALDH1A1MAPK1
SCHEMBL2745270 0.75 MAPT (0.32) MAPTCYP2C9KMT2ALMNATYMP
SCHEMBL3562767 0.75 LMNA (0.34) MAPTCYP2C9KMT2ALMNATYMP
SCHEMBL3563252 0.74 ALDH1A1 (0.35) MAPTCYP2C9KMT2ALMNATYMP
SCHEMBL3560384 0.74 LMNA (0.33) MAPTCYP2C9KMT2ALMNATYMP
SCHEMBL2745191 0.73 CYP2C9 (0.33) MAPTCYP2C9KMT2ALMNATYMP
SCHEMBL3560668 0.73 LMNA (0.35) MAPTCYP2C9KMT2ALMNAALDH1A1
SCHEMBL3558215 0.73 HPGD (0.33) MAPTCYP2C9KMT2AALDH1A1HTT
SCHEMBL2745384 0.72 MAPT (0.32) MAPTCYP2C9KMT2ALMNATYMP

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 5 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-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

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 MAPT 4521/4885CYP2C9 1455/4885KMT2A 3531/4885

“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.