SCHEMBL13201900

SCHEMBL13201900

O=S(=O)(Nc1ccc(C23CNC[C@H]2C3)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 1.00
KCNH2 Q12809 7/20 1.00
DRD2 P14416 6/20 1.00
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL13219174 1.00 DRD3 (1.00) DRD3KCNH2DRD2HDAC1HDAC8
SCHEMBL13201893 0.86 KCNH2 (1.00) DRD3KCNH2DRD2MAPT
SCHEMBL2976295 0.86 KCNH2 (1.00) DRD3KCNH2DRD2MAPT
SCHEMBL13219171 0.86 KCNH2 (1.00) DRD3KCNH2DRD2MAPT
SCHEMBL5242199 0.84 KCNH2 (0.70) DRD3KCNH2DRD2
SCHEMBL5244014 0.84 KCNH2 (0.70) DRD3KCNH2DRD2
SCHEMBL4081127 0.84 KCNH2 (0.70) DRD3KCNH2DRD2
SCHEMBL12313164 0.84 KCNH2 (0.70) DRD3KCNH2DRD2
SCHEMBL13219296 0.82 KCNH2 (0.73) DRD3KCNH2DRD2
SCHEMBL13201895 0.82 KCNH2 (0.73) DRD3KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2009-01-29 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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3C DRD3 1/4885KCNH2 1057/4885DRD2 2/4885

“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.