SCHEMBL3397256

SCHEMBL3397256

ClCCCN1C[C@@H]2C[C@]2(c2ccc(Br)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.52
DRD3 P35462 9/20 0.52
DRD2 P14416 8/20 0.52

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
SCHEMBL12313185 1.00 KCNH2 (0.52) KCNH2DRD3DRD2
SCHEMBL3769913 1.00 KCNH2 (0.52) KCNH2DRD3DRD2
SCHEMBL3769912 1.00 KCNH2 (0.52) KCNH2DRD3DRD2
SCHEMBL11915231 1.00 KCNH2 (0.52) KCNH2DRD3DRD2
SCHEMBL11911756 1.00 KCNH2 (0.52) KCNH2DRD3DRD2
SCHEMBL4629032 0.86 KCNH2 (0.49) KCNH2DRD3DRD2
SCHEMBL13823162 0.86 KCNH2 (0.49) KCNH2DRD3DRD2
SCHEMBL8247741 0.86 KCNH2 (0.49) KCNH2DRD3DRD2
SCHEMBL13201887 0.86 KCNH2 (0.49) KCNH2DRD3DRD2
SCHEMBL10235477 0.86 DRD3 (0.42) KCNH2DRD3DRD2

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
EP-1891056-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
US-7807698-B2 Azabicyclo[3.1.0]hexane derivatives as modulators of the dopamine D3 receptor GLAXO GROUP LIMITED (GB) 2010-10-05 US disclosed
US-20080227837-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2008-09-18 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-20080227837-A1 Novel Compounds HTR5A, NPY5R, DRD3 KCNH2 194/4885DRD3 3/4885DRD2 8/4885

“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.