SCHEMBL5633930

SCHEMBL5633930

O=[N+]([O-])c1cccc(S(=O)(=O)OCC2CN(C3CCN(c4ccc(Cl)cc4)CC3)CCO2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
DRD4 P21917 2/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL14572057 0.84 PRMT5 (0.55) PRMT5WDR77DRD4MAPK1MEN1
SCHEMBL29502671 0.77 PRMT5 (0.81) PRMT5WDR77LMNAMAPTGAA
SCHEMBL28692108 0.77 PRMT5 (0.81) PRMT5WDR77LMNAMAPTGAA
SCHEMBL28711197 0.77 PRMT5 (0.81) PRMT5WDR77LMNAMAPTGAA
SCHEMBL29481804 0.77 PRMT5 (0.81) PRMT5WDR77LMNAMAPTGAA
SCHEMBL5633933 0.74 MAPT (0.37) LMNAMAPTKDM4EGAAMAPK1
SCHEMBL5633929 0.74 MAPT (0.37) LMNAMAPTKDM4EGAAMAPK1
SCHEMBL28737820 0.73 PRMT5 (0.74) PRMT5WDR77LMNAMAPTGAA
SCHEMBL28290354 0.73 PRMT5 (0.74) PRMT5WDR77LMNAMAPTGAA
SCHEMBL29650357 0.73 PRMT5 (0.74) PRMT5WDR77LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7186718-B2 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-03-06 US disclosed
EP-1421082-B1 PIPERIDINYL-MORPHOLINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-01-11 EP disclosed
US-20040204408-A1 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-14 US 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-20040204408-A1 Piperidinyl-morpholinyl derivatives as modulators of chemokine receptor activity CCR5, CCR2, CXCR2 PRMT5 543/4885WDR77 3555/4885DRD4 346/4885

“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.