SCHEMBL919050

SCHEMBL919050

OCCCN1C[C@@H]2C[C@]2(c2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.55
KCNH2 Q12809 16/20 0.55
DRD2 P14416 14/20 0.55
DRD4 P21917 1/20 0.55
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL378254 0.89 DRD3 (0.57) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL14606076 0.89 DRD3 (0.55) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL14567285 0.89 DRD3 (0.57) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL1414722 0.89 DRD3 (0.57) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL919354 0.82 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL919304 0.81 DRD3 (0.55) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL13312909 0.79 DRD3 (0.58) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL3563055 0.78 DRD3 (0.46) DRD3KCNH2DRD2DRD4CYP1A2
SCHEMBL14396178 0.78 DRD3 (0.50) DRD3KCNH2DRD2DRD4
SCHEMBL3557525 0.77 DRD3 (0.58) DRD3KCNH2DRD2DRD4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-1871768-B1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-12-29 EP 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
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
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

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-20080167357-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful as Modulators of Dopamine D3 Receptors HTR5A, DRD3, HTR3C DRD3 2/4885KCNH2 658/4885DRD2 5/4885

“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.