SCHEMBL5633933

SCHEMBL5633933

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1CC1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 4/20 0.34
LMNA P02545 5/20 0.34
CCR4 P51679 1/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL5633929 1.00 MAPT (0.37) MAPTSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL5633930 0.74 PRMT5 (0.54) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL28290356 0.73 KMT2A (0.43) MAPTSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL28290358 0.73 KMT2A (0.43) MAPTSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL5634556 0.73 CCR4 (0.52) SMN1; SMN2L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL981027 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1LMNA
SCHEMBL1720326 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1LMNA
SCHEMBL336604 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1LMNA
SCHEMBL1787921 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1LMNA
SCHEMBL981024 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1LMNA

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-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 MAPT 4299/4885SMN1; SMN2 3862/4885L3MBTL1 4396/4885

“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.