SCHEMBL8250460

SCHEMBL8250460

CC(C)c1ccc(S(=O)(=O)Cc2ccc(C34CNCC3C4)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 1.00
DRD3 P35462 11/20 1.00
DRD2 P14416 9/20 1.00
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 6/20 0.48
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8247536 1.00 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201905 1.00 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201891 1.00 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13312907 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL4713576 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL14605932 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL3623841 0.83 KCNH2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11075483 0.81 KCNH2 (0.67) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201890 0.80 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL2965790 0.80 KCNH2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4

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 3 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
WO-2007022935-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO 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 KCNH2 1057/4885DRD3 1/4885DRD2 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.