SCHEMBL2745356

SCHEMBL2745356

Cc1nscc1-c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NT5E P21589 2/20 0.38
LMNA P02545 2/20 0.37
DPYD Q12882 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5801644 0.75 ALDH1A1 (0.64) ATAD2ALDH1A1LMNADPYDMAPT
SCHEMBL2745628 0.71 ATAD2 (0.46) ATAD2ALDH1A1NT5ELMNADPYD
SCHEMBL2745632 0.70 ATAD2 (0.44) ATAD2ALDH1A1NT5ELMNADPYD
SCHEMBL2745075 0.69 ATAD2 (0.43) ATAD2ALDH1A1NT5ELMNADPYD
SCHEMBL10107868 0.69 KDM4E (0.49) ATAD2ALDH1A1NT5ELMNAMAPT
SCHEMBL30709633 0.68 ALDH1A1 (0.47) ATAD2ALDH1A1NT5ELMNADPYD
SCHEMBL10107876 0.68 ALDH1A1 (0.51) ATAD2ALDH1A1NT5ELMNADPYD
Hydrochloric Acid SCHEMBL2745406 0.68 KDM4E (0.48) ATAD2ALDH1A1NT5ELMNAMAPT
SCHEMBL3557794 0.67 ALDH1A1 (0.59) ATAD2ALDH1A1LMNADPYDMAPT
SCHEMBL13314226 0.67 ALDH1A1 (0.41) ATAD2ALDH1A1NT5ELMNADPYD

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 ATAD2 2594/4885ALDH1A1 1666/4885NT5E 1053/4885

“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.