SCHEMBL13312906

SCHEMBL13312906

CC(C)c1ccc([C@@]23C[C@@H]2CN(CCCCl)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
KCNH2 Q12809 5/20 0.53

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
SCHEMBL14606195 0.87 DRD2 (0.53) DRD2DRD3KCNH2
SCHEMBL10235477 0.83 DRD3 (0.42) DRD2DRD3KCNH2
SCHEMBL3769913 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL3769912 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL11911756 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL11915231 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL12313185 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL3397256 0.83 KCNH2 (0.52) DRD2DRD3KCNH2
SCHEMBL378256 0.80 DRD3 (0.55) DRD2DRD3KCNH2
SCHEMBL13089084 0.80 DRD3 (0.55) DRD2DRD3KCNH2

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-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
WO-2007022934-A2 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL 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-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 DRD2 11/4885DRD3 3/4885KCNH2 464/4885

“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.