SCHEMBL2819368

SCHEMBL2819368

Cn1c(-c2ccc(Cl)cc2)cnc1SCCCN1C[C@@H]2C[C@]2(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.68
KCNH2 Q12809 20/20 0.68
DRD2 P14416 16/20 0.68
CYP1A2 P05177 1/20 0.60

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
SCHEMBL2822551 0.91 DRD3 (0.75) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL2819910 0.91 DRD3 (0.74) DRD3KCNH2DRD2CYP1A2
SCHEMBL2819231 0.87 DRD3 (0.68) DRD3KCNH2DRD2CYP1A2
SCHEMBL2822365 0.87 DRD3 (0.68) DRD3KCNH2DRD2CYP1A2
SCHEMBL2822364 0.87 DRD3 (0.68) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL2822299 0.86 DRD3 (0.67) DRD3KCNH2DRD2CYP1A2
SCHEMBL378352 0.81 DRD3 (1.00) DRD3KCNH2DRD2CYP1A2
SCHEMBL2819702 0.80 DRD3 (0.50) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL397107 0.80 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2
SCHEMBL2820695 0.80 DRD3 (0.57) DRD3KCNH2DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP claimed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US claimed
EP-1891057-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-02-27 EP claimed
WO-2006133946-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-21 WO claimed
EP-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-1891057-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-02-27 EP disclosed
WO-2006133946-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-21 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-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 DRD3 3/4885KCNH2 3734/4885DRD2 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.