SCHEMBL11075680

SCHEMBL11075680

COc1ccc(C23CC2C(=O)NC3=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.64
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
CXCR3 P49682 2/20 0.39
AURKB Q96GD4 2/20 0.39
PLK4 O00444 1/20 0.39
CYP3A4 P08684 1/20 0.37
CTSE P14091 1/20 0.37
CYP2C19 P33261 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL12313146 1.00 CYP19A1 (0.64) CYP19A1MAOBMAOADDB1CRBN
SCHEMBL11911732 1.00 CYP19A1 (0.64) CYP19A1MAOBMAOADDB1CRBN
SCHEMBL4556388 0.83 CYP19A1 (0.72) CYP19A1MAOBMAOADDB1CRBN
SCHEMBL14520901 0.83 CYP19A1 (0.72) CYP19A1MAOBMAOADDB1CRBN
SCHEMBL11075149 0.82 CYP19A1 (0.50) CYP19A1DDB1CRBNCXCR3CTSE
SCHEMBL11079982 0.80 CYP19A1 (0.59) CYP19A1CXCR3
SCHEMBL8245665 0.78 CYP19A1 (0.70) CYP19A1CRBNCXCR3
SCHEMBL22623727 0.78 CYP19A1 (1.00) CYP19A1LMNA
SCHEMBL10530941 0.78 CYP19A1 (1.00) CYP19A1LMNA
SCHEMBL10530071 0.78 CYP19A1 (1.00) CYP19A1LMNA

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 25 patents — showing the first 20. 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
EP-1917013-B1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LTD (GB) 2011-03-09 EP 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-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
EP-2070922-A1 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2009-06-17 EP disclosed
EP-2060570-A2 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors Glaxo Group Limited (GB) 2009-05-20 EP 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-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
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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 (5 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 CYP19A1 1397/4885MAOB 1610/4885MAOA 2017/4885
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands DRD3, HTR3C, HTR5A CYP19A1 1315/4885MAOB 1204/4885MAOA 1459/4885
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 CYP19A1 3246/4885MAOB 967/4885MAOA 1579/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT CYP19A1 176/4885MAOB 1162/4885MAOA 1045/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 CYP19A1 130/4885MAOB 495/4885MAOA 765/4885

“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.