SCHEMBL4933893

SCHEMBL4933893

CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.67
SLC6A5 Q9Y345 4/20 0.62
AKR1C3 P42330 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
GPR55 Q9Y2T6 2/20 0.54
CNR1 P21554 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL4936692 0.91 SLC6A9 (0.77) SLC6A9SLC6A5GPR55
SCHEMBL4936736 0.89 SLC6A9 (0.73) SLC6A9SLC6A5AKR1C3GPR55CNR1
SCHEMBL4930244 0.87 SLC6A9 (0.82) SLC6A9SLC6A5AKR1C3GPR55
SCHEMBL4934646 0.87 SLC6A9 (0.72) SLC6A9SLC6A5AKR1C3GPR55CNR1
SCHEMBL3922310 0.86 SLC6A9 (0.61) SLC6A9SLC6A5L3MBTL1GPR55
SCHEMBL4935893 0.86 SLC6A9 (0.72) SLC6A9SLC6A5GPR55CNR1MAPT
SCHEMBL3920703 0.85 SLC6A9 (0.85) SLC6A9SLC6A5GPR55
SCHEMBL4939090 0.84 SLC6A9 (0.66) SLC6A9SLC6A5MAPT
SCHEMBL8256926 0.83 SLC6A9 (0.76) SLC6A9SLC6A5AKR1C3GPR55
SCHEMBL13687970 0.83 SLC6A9 (0.80) SLC6A9SLC6A5AKR1C3GPR55

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 6 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
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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 2/4885AKR1C3 3798/4885

“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.