SCHEMBL4939899

SCHEMBL4939899

CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.71
SLC6A5 Q9Y345 9/20 0.71
IDE P14735 1/20 0.60
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
PAX8 Q06710 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL4933405 0.91 SLC6A9 (0.64) SLC6A9SLC6A5ALDH1A1MAPTMEN1
SCHEMBL4934646 0.89 SLC6A9 (0.72) SLC6A9SLC6A5IDEALDH1A1MAPT
SCHEMBL4930244 0.86 SLC6A9 (0.82) SLC6A9SLC6A5IDEPAX8
SCHEMBL4935893 0.84 SLC6A9 (0.72) SLC6A9SLC6A5IDEMAPT
SCHEMBL4938266 0.84 SLC6A9 (0.77) SLC6A9SLC6A5IDE
SCHEMBL4936736 0.84 SLC6A9 (0.73) SLC6A9SLC6A5IDEPAX8
SCHEMBL3924655 0.83 SLC6A9 (1.00) SLC6A9SLC6A5IDEPAX8
SCHEMBL4938614 0.83 SLC6A9 (0.67) SLC6A9SLC6A5IDEKMT2A
SCHEMBL4934753 0.82 SLC6A9 (0.74) SLC6A9SLC6A5IDEALDH1A1MAPT
SCHEMBL4933893 0.82 SLC6A9 (0.67) SLC6A9SLC6A5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 SLC6A9 22/4885SLC6A5 2/4885IDE 3230/4885

“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.