SCHEMBL2849260

SCHEMBL2849260

Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.81
KCNH2 Q12809 20/20 0.81
DRD2 P14416 16/20 0.81
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69

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
Hydrochloric Acid SCHEMBL2851449 0.99 DRD3 (0.80) DRD3KCNH2DRD2CYP1A2CYP2D6
SCHEMBL378314 0.90 KCNH2 (0.84) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL378313 0.89 KCNH2 (0.83) DRD3KCNH2DRD2CYP1A2
SCHEMBL378352 0.88 DRD3 (1.00) DRD3KCNH2DRD2CYP1A2
SCHEMBL378168 0.87 DRD3 (1.00) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL397107 0.87 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL378874 0.87 DRD3 (0.98) DRD3KCNH2DRD2CYP1A2
SCHEMBL12313324 0.86 DRD3 (0.79) DRD3KCNH2DRD2CYP1A2
SCHEMBL11911836 0.86 DRD3 (0.79) DRD3KCNH2DRD2CYP1A2
SCHEMBL11915313 0.86 DRD3 (0.79) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803820-B2 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands GLAXO GROUP LIMITED (GB) 2010-09-28 US claimed
EP-1869018-B1 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2010-01-13 EP claimed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 US claimed
EP-1869018-A1 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP claimed
WO-2006108700-A1 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-10-19 WO claimed
US-7803820-B2 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803820-B2 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803820-B2 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
EP-1869018-B1 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 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-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands DRD3, HTR3C, HTR5A DRD3 1/4885KCNH2 871/4885DRD2 4/4885

“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.