SCHEMBL10107833

SCHEMBL10107833

O=C1NC(=O)C2(c3ccc(C(F)(F)F)cc3)C[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.64
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM1A O60341 2/20 0.45
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
DAO P14920 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A9 P48067 3/20 0.36
TNKS O95271 1/20 0.35
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KIF11 P52732 1/20 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
SCHEMBL3698387 1.00 CYP19A1 (0.64) CYP19A1MAOAMAOBKDM1ADDB1
SCHEMBL2054566 1.00 CYP19A1 (0.64) CYP19A1MAOAMAOBKDM1ADDB1
SCHEMBL2056307 1.00 CYP19A1 (0.64) CYP19A1MAOAMAOBKDM1ADDB1
SCHEMBL12859669 0.88 CYP19A1 (0.60) CYP19A1MAOAMAOBKDM1A
SCHEMBL11079038 0.84 CYP19A1 (0.64) CYP19A1DDB1CRBNTNKSTNKS2
SCHEMBL4556388 0.80 CYP19A1 (0.72) CYP19A1MAOAMAOBDDB1CRBN
SCHEMBL14520901 0.80 CYP19A1 (0.72) CYP19A1MAOAMAOBDDB1CRBN
SCHEMBL4760568 0.79 CYP19A1 (0.47) CYP19A1KDM1ADDB1CRBN
SCHEMBL11914812 0.79 CYP19A1 (0.47) CYP19A1KDM1ADDB1CRBN
SCHEMBL11911761 0.79 CYP19A1 (0.47) CYP19A1KDM1ADDB1CRBN

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 12 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-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 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-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-7807698-B2 Azabicyclo[3.1.0]hexane derivatives as modulators of the dopamine D3 receptor GLAXO GROUP LIMITED (GB) 2010-10-05 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-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-20080227837-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2008-09-18 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 (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-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, DRD5 CYP19A1 1680/4885MAOA 1459/4885MAOB 1275/4885
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 CYP19A1 311/4885MAOA 259/4885MAOB 43/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 CYP19A1 3246/4885MAOA 1579/4885MAOB 967/4885
US-20080167357-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful as Modulators of Dopamine D3 Receptors HTR5A, DRD3, HTR3C CYP19A1 1397/4885MAOA 2017/4885MAOB 1610/4885
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 CYP19A1 3246/4885MAOA 1579/4885MAOB 967/4885
US-20080227837-A1 Novel Compounds HTR5A, NPY5R, DRD3 CYP19A1 1493/4885MAOA 1352/4885MAOB 1122/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 CYP19A1 130/4885MAOA 765/4885MAOB 495/4885

“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.