Bitopertin

Bitopertin

SCHEMBL561853

CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A9

The experimentally established mechanism targets of Bitopertin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 known ✓ P48067 20/20 1.00
KCNH2 Q12809 7/20 1.00
SLC6A5 Q9Y345 2/20 0.86

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
Bitopertin SCHEMBL562490 1.00 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL29985866 1.00 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL3772885 1.00 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL29363611 1.00 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL12172477 0.94 SLC6A9 (0.88) SLC6A9KCNH2SLC6A5
SCHEMBL4424343 0.93 SLC6A9 (0.87) SLC6A9KCNH2SLC6A5
SCHEMBL562102 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL8195740 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL18502986 0.91 SLC6A9 (0.83) SLC6A9KCNH2SLC6A5
SCHEMBL5042089 0.88 SLC6A9 (1.00) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137073-B1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2018-06-06 EP claimed
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
WO-2023219548-A1 SELECTIVE DOPAMINE INCREASE SOBRERA PHARMA AB (SE) 2023-11-16 WO disclosed
CN-106795172-B Crystalline forms of 1- (1-methyl-1H-pyrazol-4-yl) -N- ((1R,5S,7S) -9-methyl-3-oxa-9-azabicyclo [3.3.1] non-7-yl) -1H-indole-3-carboxamide 武田药品工业株式会社 2020-07-28 CN disclosed
CN-106397312-B Method for preparing GLYT-1 inhibitor 广东东阳光药业有限公司 2020-03-24 CN disclosed
EP-3137073-B1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2018-06-06 EP disclosed
EP-2603219-B1 COMBINATION OF GLYT1 COMPOUND WITH ANTIPSYCHOTICS HOFFMANN LA ROCHE (CH) 2014-09-17 EP 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 (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-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

“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.