SCHEMBL4657652

SCHEMBL4657652

Brc1ccc(C23CNC[C@H]2C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.69
SLC6A4 P31645 8/20 0.69
SLC6A3 Q01959 8/20 0.69
KCNH2 Q12809 2/20 0.69
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL2712443 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL378111 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712621 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712172 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712623 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL378632 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL11628436 0.98 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL20995129 0.98 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL24681635 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL14938190 0.82 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7776904-B2 Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-08-17 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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2009-01-29 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-1917242-A1 AZABICYCLO [3.1.0]HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-07 EP disclosed
EP-1917013-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2008-05-07 EP disclosed
WO-2007022935-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (6 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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3C SLC6A2 174/4885SLC6A4 334/4885SLC6A3 8/4885
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 SLC6A2 1576/4885SLC6A4 1476/4885SLC6A3 76/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 SLC6A2 654/4885SLC6A4 660/4885SLC6A3 26/4885
US-20080167357-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful as Modulators of Dopamine D3 Receptors HTR5A, DRD3, HTR3C SLC6A2 680/4885SLC6A4 334/4885SLC6A3 19/4885
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands DRD3, HTR3C, HTR5A SLC6A2 338/4885SLC6A4 194/4885SLC6A3 14/4885
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 SLC6A2 654/4885SLC6A4 660/4885SLC6A3 26/4885

“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.