SCHEMBL4937593

SCHEMBL4937593

CS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.63
CNR1 P21554 3/20 0.54
GPR55 Q9Y2T6 4/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CNR2 P34972 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
GPR6 P46095 1/20 0.46
GBA1 P04062 1/20 0.45

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
SCHEMBL4937097 0.85 SLC6A9 (0.61) SLC6A9CNR1GPR55ALDH1A1MEN1
SCHEMBL1381763 0.81 SLC6A9 (0.61) SLC6A9
SCHEMBL4058122 0.81 SLC6A9 (0.56) SLC6A9GPR6
SCHEMBL4930192 0.81 SLC6A9 (0.65) SLC6A9CNR1GPR55ALDH1A1MEN1
SCHEMBL1377168 0.80 SLC6A9 (0.57) SLC6A9
SCHEMBL4933947 0.79 SLC6A9 (0.62) SLC6A9CNR1GPR55ALDH1A1MEN1
SCHEMBL4938899 0.79 SLC6A9 (0.72) SLC6A9
SCHEMBL4939156 0.78 SLC6A9 (0.61) SLC6A9CNR1GPR55ALDH1A1MEN1
SCHEMBL3920651 0.78 SLC6A9 (1.00) SLC6A9GPR55
SCHEMBL3923127 0.76 SLC6A9 (0.98) SLC6A9GPR55

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 4 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
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 22/4885CNR1 351/4885GPR55 395/4885

“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.