SCHEMBL4939869

SCHEMBL4939869

CCS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 6/20 0.59
CNR1 P21554 3/20 0.59
SLC6A9 P48067 4/20 0.57
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CNR2 P34972 1/20 0.48
THRB P10828 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 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
SCHEMBL4933835 0.90 SLC6A9 (0.70) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4939078 0.87 CNR1 (0.56) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4936664 0.87 GPR55 (0.58) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL3919766 0.82 SLC6A9 (0.80) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL3923398 0.80 SLC6A9 (0.58) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4934646 0.80 SLC6A9 (0.72) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4939424 0.79 SLC6A9 (0.56) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4933405 0.79 SLC6A9 (0.64) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4936412 0.79 SLC6A9 (0.62) GPR55CNR1SLC6A9MAPTALDH1A1
SCHEMBL4938526 0.78 SLC6A9 (0.58) GPR55CNR1SLC6A9MAPTALDH1A1

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 GPR55 395/4885CNR1 351/4885SLC6A9 22/4885

“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.