SCHEMBL3364262

SCHEMBL3364262

Cc1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.79
KCNH2 Q12809 20/20 0.79
DRD2 P14416 16/20 0.79
CYP1A2 P05177 1/20 0.74
CYP2C19 P33261 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
SCHEMBL3365347 0.89 DRD3 (0.73) DRD3KCNH2DRD2CYP1A2
SCHEMBL3364328 0.89 DRD3 (0.73) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL3365350 0.89 DRD3 (0.73) DRD3KCNH2DRD2CYP1A2
SCHEMBL13114707 0.89 DRD3 (0.73) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL3422939 0.88 DRD3 (0.72) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL3365418 0.88 DRD3 (0.72) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL378168 0.87 DRD3 (1.00) DRD3KCNH2DRD2CYP1A2CYP2C19
SCHEMBL3365075 0.87 DRD3 (0.71) DRD3KCNH2DRD2CYP1A2
SCHEMBL3365070 0.87 DRD3 (0.71) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL378874 0.87 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2CYP2C19

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