SCHEMBL562007

SCHEMBL562007

CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1)C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.78
KCNH2 Q12809 6/20 0.72
SLC6A5 Q9Y345 2/20 0.72

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
SCHEMBL5037804 0.93 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL5047810 0.86 SLC6A9 (0.74) SLC6A9KCNH2SLC6A5
SCHEMBL5042859 0.86 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5041696 0.85 SLC6A9 (0.75) SLC6A9KCNH2SLC6A5
SCHEMBL5037773 0.85 SLC6A9 (0.87) SLC6A9KCNH2SLC6A5
SCHEMBL2828801 0.83 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL562797 0.83 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL5041983 0.83 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL5038042 0.82 SLC6A9 (0.84) SLC6A9KCNH2SLC6A5
SCHEMBL5042013 0.82 SLC6A9 (0.82) SLC6A9KCNH2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603219-B1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS HOFFMANN LA ROCHE (CH) 2014-09-17 EP claimed
EP-2603219-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
WO-2012019970-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
US-20120035156-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS HOFFMANN-LA ROCHE INC. 2012-02-09 US claimed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US claimed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US claimed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO claimed
EP-2603219-B1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2603219-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019970-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120035156-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS HOFFMANN-LA ROCHE INC. 2012-02-09 US disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (3 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885KCNH2 719/4885SLC6A5 9/4885
US-20120035156-A1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS SLC6A4, SLC1A2, SLC1A1 SLC6A9 13/4885KCNH2 742/4885SLC6A5 5/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885KCNH2 719/4885SLC6A5 9/4885

“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.