SCHEMBL4220802

SCHEMBL4220802

COC(=O)c1ccc(SCC(=O)N(C)[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.40
DRD4 P21917 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
UTS2R Q9UKP6 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.34
S1PR5 Q9H228 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4220809 0.84 CCR3 (0.52) CCR3DRD4ALDH1A1MCHR1MAPK1
SCHEMBL4220805 0.84 CCR3 (0.52) CCR3DRD4ALDH1A1MCHR1MAPK1
SCHEMBL4215944 0.79 DRD4 (0.46) CCR3DRD4MCHR1SMN1; SMN2UTS2R
SCHEMBL4224847 0.75 CCR3 (0.41) CCR3DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4220091 0.73 DRD4 (0.45) CCR3DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4496189 0.73 DRD4 (0.51) CCR3DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4226684 0.72 DRD4 (0.50) CCR3DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1806951 0.68 CCR3 (0.58) CCR3DRD4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1806952 0.68 CCR3 (0.58) CCR3DRD4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1809426 0.68 CCR3 (0.55) CCR3DRD4ALDH1A1MCHR1MEN1

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 1107/4885ALDH1A1 3009/4885

“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.