SCHEMBL4933947

SCHEMBL4933947

CS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.62
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
GPR55 Q9Y2T6 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 1/20 0.58
SLC6A5 Q9Y345 3/20 0.58
LMNA P02545 3/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4930192 0.86 SLC6A9 (0.65) SLC6A9ALDH1A1MAPTGPR55MEN1
SCHEMBL4938899 0.83 SLC6A9 (0.72) SLC6A9SLC6A5KCNH2
SCHEMBL4939156 0.83 SLC6A9 (0.61) SLC6A9ALDH1A1MAPTGPR55MEN1
SCHEMBL4424875 0.82 SLC6A9 (0.63) SLC6A9SLC6A5KCNH2
SCHEMBL5304114 0.79 SLC6A9 (0.56) SLC6A9ALDH1A1GPR55MEN1KMT2A
SCHEMBL4937593 0.79 SLC6A9 (0.63) SLC6A9ALDH1A1GPR55MEN1KMT2A
SCHEMBL3929443 0.77 SLC6A9 (0.62) SLC6A9MEN1KMT2ASLC6A5LMNA
SCHEMBL3920651 0.77 SLC6A9 (1.00) SLC6A9GPR55SLC6A5
SCHEMBL3922310 0.77 SLC6A9 (0.61) SLC6A9GPR55SLC6A5LMNAKCNH2
SCHEMBL4933405 0.76 SLC6A9 (0.64) SLC6A9ALDH1A1MAPTGPR55MEN1

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
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

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 22/4885ALDH1A1 1381/4885MAPT 441/4885

“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.