SCHEMBL2847331

SCHEMBL2847331

Cn1c(S)nnc1-c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 3/20 0.35
SCN5A Q14524 1/20 0.35
HSD11B1 P28845 9/20 0.34
MEN1 O00255 2/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.32
DRD2 P14416 1/20 0.30

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
SCHEMBL392037 0.80 ALDH1A1 (0.44) ALDH1A1NPC1HSD11B1MEN1RAB9A
SCHEMBL1544604 0.80 NPC1 (0.51) ALDH1A1NPC1HSD11B1MEN1CYP2C19
SCHEMBL6402595 0.77 ALDH1A1 (0.59) ALDH1A1NPC1HSD11B1MEN1RAB9A
SCHEMBL12803376 0.77 ALDH1A1 (0.45) ALDH1A1NPC1HSD11B1MEN1CYP2C19
SCHEMBL4184528 0.77 HSD11B1 (0.43) ALDH1A1NPC1HSD11B1MEN1CYP2C19
SCHEMBL1544137 0.77 HSD11B1 (0.56) ALDH1A1HSD11B1KMT2A
SCHEMBL392717 0.76 HSD11B1 (0.53) ALDH1A1NPC1HSD11B1RAB9AKMT2A
SCHEMBL1543914 0.74 SMN1; SMN2 (0.46) ALDH1A1MEN1CYP2C19KMT2AHPGD
SCHEMBL1544151 0.74 ALDH1A1 (0.49) ALDH1A1NPC1HSD11B1RAB9AHPGD
SCHEMBL22728158 0.74 ALDH1A1 (0.47) ALDH1A1NPC1HSD11B1MEN1CYP2C19

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 9 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 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
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 disclosed
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 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 ALDH1A1 1742/4885NPC1 1615/4885SCN5A 246/4885

“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.