SCHEMBL4224847

SCHEMBL4224847

CN(C(=O)CSc1ccc(C(=O)O)cn1)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
DRD4 P21917 3/20 0.41
S1PR5 Q9H228 2/20 0.39
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CXCR2 P25025 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL4226684 0.80 DRD4 (0.50) CCR3DRD4S1PR5SMN1; SMN2KDM4E
SCHEMBL1809411 0.80 CCR3 (0.56) CCR3DRD4S1PR5TP53CNR2
SCHEMBL1809409 0.80 CCR3 (0.56) CCR3DRD4S1PR5TP53CNR2
SCHEMBL4496189 0.78 DRD4 (0.51) CCR3DRD4S1PR5SMN1; SMN2KDM4E
SCHEMBL1809405 0.77 DRD4 (0.47) CCR3DRD4S1PR5CNR2
SCHEMBL4220091 0.77 DRD4 (0.45) CCR3DRD4S1PR5TP53SMN1; SMN2
SCHEMBL4220802 0.75 CCR3 (0.40) CCR3DRD4S1PR5SMN1; SMN2KDM4E
SCHEMBL4215944 0.74 DRD4 (0.46) CCR3DRD4S1PR5SMN1; SMN2UTS2R
SCHEMBL1811279 0.73 CCR3 (0.64) CCR3DRD4SMN1; SMN2CXCR2ALDH1A1
SCHEMBL1811275 0.73 CCR3 (0.64) CCR3DRD4SMN1; SMN2CXCR2ALDH1A1

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-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1919884-A1 N-BENZYL-MORPHOLINE DERIVATIVES AS MODULATORS OF THE CHEMOKINE RECEPTOR AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007011292-A1 N-BENZYL-MORPHOLINE DERIVATIVES AS MODULATORS OF THE CHEMOKINE RECEPTOR ASTRAZENECA AB (SE) 2007-01-25 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-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor CCR3, CCR1, CCR5 CCR3 1/4885DRD4 1107/4885S1PR5 108/4885

“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.