SCHEMBL2823324

SCHEMBL2823324

COC(=O)C1CC1(C(=O)OC)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADAM17 P78536 7/20 0.54
OPRK1 P41145 1/20 0.45
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL4451893 0.86 ADAM17 (0.52) ATML3MBTL1ADAM17
SCHEMBL5077366 0.86 ADAM17 (0.52) ATML3MBTL1ADAM17
SCHEMBL11076157 0.82 ADAM17 (0.79) ADAM17
SCHEMBL28065194 0.81 ATM (0.58) ATML3MBTL1MAOBMAOACNR2
SCHEMBL11470653 0.81 ADAM17 (0.42) ADAM17
SCHEMBL11078762 0.81 ADAM17 (0.47) ADAM17
SCHEMBL11074900 0.80 ADAM17 (0.54) ATML3MBTL1ADAM17
SCHEMBL11911737 0.79 ATM (0.61) ATML3MBTL1MAOBMAOACNR2
SCHEMBL11075435 0.79 ADAM17 (0.49) ATML3MBTL1ADAM17
SCHEMBL3984092 0.78 ADAM17 (0.53) ADAM17

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-7875643-B2 (1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)oxy]propyl}-3-azabicyclo[3.1.0]hexane; or(1S,5R)-3-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)oxy]propyl}-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane; schizophrenia GLAXO GROUP LIMITED (GB) 2011-01-25 US disclosed
US-7855298-B2 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-12-21 US disclosed
EP-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-7803820-B2 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-06-17 US disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080167357-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED (GB) 2008-07-10 US disclosed
EP-1891057-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-02-27 EP disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
WO-2006133946-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-21 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 (7 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-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 ATM 4823/4885L3MBTL1 3528/4885ADAM17 3330/4885
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 ATM 4612/4885L3MBTL1 1374/4885ADAM17 4579/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 ATM 4515/4885L3MBTL1 1780/4885ADAM17 4446/4885
US-20080167357-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful as Modulators of Dopamine D3 Receptors HTR5A, DRD3, HTR3C ATM 4093/4885L3MBTL1 2439/4885ADAM17 4432/4885
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands DRD3, HTR3C, HTR5A ATM 3858/4885L3MBTL1 1686/4885ADAM17 4420/4885
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 ATM 4515/4885L3MBTL1 1780/4885ADAM17 4446/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT ATM 3139/4885L3MBTL1 1288/4885ADAM17 4389/4885

“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.