SCHEMBL4421735

SCHEMBL4421735

CS(=O)(=O)c1ccc(N2CCN(C(=O)c3c(F)ccc(S(C)(=O)=O)c3F)CC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.63
GPR55 Q9Y2T6 2/20 0.52
KCNH2 Q12809 2/20 0.48
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL4420336 0.86 SLC6A9 (0.65) SLC6A9GPR55KCNH2
SCHEMBL4433416 0.84 SLC6A9 (0.65) SLC6A9KCNH2GPR119
SCHEMBL4419994 0.79 SLC6A9 (0.64) SLC6A9GPR55KCNH2
SCHEMBL4425015 0.78 SLC6A9 (0.77) SLC6A9GPR55KCNH2
SCHEMBL3923127 0.78 SLC6A9 (0.98) SLC6A9GPR55KCNH2
SCHEMBL3920651 0.77 SLC6A9 (1.00) SLC6A9GPR55
SCHEMBL3919841 0.77 SLC6A9 (0.76) SLC6A9GPR55KCNH2
SCHEMBL5037826 0.77 SLC6A9 (0.71) SLC6A9GPR55KCNH2
SCHEMBL4138706 0.76 SLC6A9 (0.59) SLC6A9GPR55
SCHEMBL3930029 0.76 SLC6A9 (0.88) SLC6A9GPR55KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 82/4885GPR55 170/4885KCNH2 719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885GPR55 170/4885KCNH2 719/4885

“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.