SCHEMBL2054565

SCHEMBL2054565

O=C1NC(=O)C2(c3ccccc3)C[C@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.69
CACNA1F O60840 2/20 0.44
SCN1A P35498 2/20 0.44
SCN4A P35499 2/20 0.44
CACNA1D Q01668 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
AR P10275 1/20 0.44
PDE4A P27815 1/20 0.44
SCN7A Q01118 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN11A Q9UI33 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1552771 1.00 CYP19A1 (0.69) CYP19A1CACNA1FSCN1ASCN4ACACNA1D
SCHEMBL26664974 1.00 CYP19A1 (0.69) CYP19A1CACNA1FSCN1ASCN4ACACNA1D
SCHEMBL15196027 1.00 CYP19A1 (0.69) CYP19A1CACNA1FSCN1ASCN4ACACNA1D
SCHEMBL14520901 0.83 CYP19A1 (0.72) CYP19A1KCNH2MAOBMAOACXCR3
SCHEMBL4556388 0.83 CYP19A1 (0.72) CYP19A1KCNH2MAOBMAOACXCR3
SCHEMBL10530071 0.81 CYP19A1 (1.00) CYP19A1ALDH1A1
SCHEMBL8245665 0.81 CYP19A1 (0.70) CYP19A1MMP2MMP9KDM1ACXCR3
SCHEMBL22623727 0.81 CYP19A1 (1.00) CYP19A1ALDH1A1
SCHEMBL10530941 0.81 CYP19A1 (1.00) CYP19A1ALDH1A1
SCHEMBL13201868 0.81 CYP19A1 (0.70) CYP19A1MMP2MMP9KDM1ACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 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 (3 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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A CYP19A1 503/4885CACNA1F 2067/4885SCN1A 2009/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 CYP19A1 1558/4885CACNA1F 1296/4885SCN1A 864/4885
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, DRD1 CYP19A1 270/4885CACNA1F 1852/4885SCN1A 2328/4885

“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.