SCHEMBL2745537

SCHEMBL2745537

Cc1noc(-c2cnc(=O)[nH]c2O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PIK3CD O00329 4/20 0.34
▸ PIK3CG P48736 4/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HCRTR1 O43613 4/20 0.33
▸ HCRTR2 O43614 4/20 0.33

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
SCHEMBL2745302 0.66 ATAD2 (0.43) PLATKMT2AACHEMTORADRA1A
SCHEMBL4207499 0.65 OPRK1 (0.48) KMT2AACHEPIK3CDPIK3CGMTOR
SCHEMBL14842292 0.64 CASP3 (0.68) KMT2APDK2TP53GAAMAPT
SCHEMBL26598625 0.64 LRRK2 (0.41) KMT2AACHEPIK3CDPIK3CGMTOR
SCHEMBL4206581 0.64 KMT2A (0.46) KMT2AACHEADRA1AHCRTR1HCRTR2
SCHEMBL2673477 0.63 S1PR1 (0.48) PLATKMT2AACHEADRA1ATP53
SCHEMBL8411078 0.62 KDM4E (0.54) KMT2APIK3CDPIK3CBTP53GAA
SCHEMBL17640753 0.61 ACHE (0.42) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL25428225 0.61 ACHE (0.54) ACHEPIK3CDPIK3CGMTORPDK2
SCHEMBL15662067 0.61 ACHE (0.46) KMT2AACHEPIK3CDPIK3CGMTOR

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 3 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

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 PLAT 4653/4885KMT2A 3531/4885HDAC3 242/4885

“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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