SCHEMBL2745302

SCHEMBL2745302

Cc1noc(-c2c[nH]c(=O)[nH]c2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ ACHE P22303 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADRA1A P35348 1/20 0.35
▸ DPYD Q12882 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ NT5E P21589 2/20 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
SCHEMBL30961317 0.72 ATAD2 (0.44) ATAD2ALDH1A1LMNADPYDGAA
SCHEMBL8411078 0.70 KDM4E (0.54) ALDH1A1LMNAKMT2AGAAMAPT
SCHEMBL5801644 0.70 ALDH1A1 (0.64) ATAD2ALDH1A1LMNADPYDGAA
SCHEMBL2745399 0.69 ATAD2 (0.44) ATAD2ALDH1A1LMNAADRA1ADPYD
SCHEMBL2673477 0.68 S1PR1 (0.48) ALDH1A1ACHEPLATKMT2AADRA1A
SCHEMBL3564661 0.68 ATAD2 (0.43) ATAD2ALDH1A1LMNADPYDGAA
SCHEMBL6111200 0.67 ALDH1A1 (0.43) ATAD2ALDH1A1LMNAADRA1ADPYD
SCHEMBL2745628 0.67 ATAD2 (0.46) ATAD2ALDH1A1LMNAPLATDPYD
SCHEMBL30701752 0.67 CDK2 (0.50) ATAD2ALDH1A1LMNADPYDGAA
SCHEMBL2745537 0.66 PLAT (0.37) ACHEPLATKMT2AADRA1AGAA

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 1666/4885ACHE 3867/4885

“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.

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