SCHEMBL378206

SCHEMBL378206

Cc1ccc2c(-c3nnc(SCCCCl)n3C)cccc2n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.61
DRD3 P35462 16/20 0.61
HRH1 P35367 9/20 0.61
DRD2 P14416 5/20 0.59

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
SCHEMBL2307186 0.97 KCNH2 (0.60) KCNH2DRD3HRH1DRD2
SCHEMBL17712726 0.80 DRD3 (0.48) KCNH2DRD3HRH1DRD2
SCHEMBL2285841 0.80 DRD3 (0.42) KCNH2DRD3HRH1DRD2
SCHEMBL2316059 0.77 DRD3 (1.00) KCNH2DRD3HRH1
SCHEMBL12377969 0.77 DRD3 (0.56) KCNH2DRD3HRH1DRD2
Hydrochloric Acid SCHEMBL2307467 0.76 DRD3 (0.98) KCNH2DRD3HRH1
SCHEMBL4385569 0.76 DRD2 (0.71) DRD3HRH1DRD2
SCHEMBL14077011 0.76 DRD3 (0.44) KCNH2DRD3HRH1DRD2
SCHEMBL378384 0.75 KCNH2 (1.00) KCNH2DRD3HRH1DRD2
SCHEMBL5245984 0.75 KCNH2 (1.00) KCNH2DRD3HRH1DRD2

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
CN-101291669-B Use of azabicyclo hexane derivatives GLAXO GROUP LTD 2012-09-26 CN disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
EP-1758890-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-03-07 EP disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed
WO-2005123717-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 WO disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (2 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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 KCNH2 192/4885DRD3 1/4885HRH1 92/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 KCNH2 4867/4885DRD3 1131/4885HRH1 1151/4885

“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.