SCHEMBL4226689

SCHEMBL4226689

O=C(COc1ccc(C(=O)O)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.60
DRD4 P21917 8/20 0.57
MCHR1 Q99705 1/20 0.51
KCNH2 Q12809 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4226695 1.00 CCR3 (0.60) CCR3DRD4MCHR1KCNH2SIGMAR1
SCHEMBL4022970 0.92 DRD4 (0.68) CCR3DRD4MCHR1FAAHACHE
SCHEMBL4215947 0.91 CCR3 (0.59) CCR3DRD4MCHR1KCNH2SIGMAR1
SCHEMBL4215942 0.91 CCR3 (0.59) CCR3DRD4MCHR1KCNH2SIGMAR1
SCHEMBL5867083 0.88 CCR3 (0.65) CCR3DRD4KCNH2SIGMAR1MEN1
SCHEMBL1809490 0.84 CCR3 (0.60) CCR3DRD4KCNH2SIGMAR1MEN1
SCHEMBL1809496 0.84 CCR3 (0.60) CCR3DRD4KCNH2SIGMAR1MEN1
SCHEMBL20415267 0.83 CCR3 (0.84) CCR3DRD4KCNH2SIGMAR1MEN1
SCHEMBL5618816 0.83 CCR3 (0.84) CCR3DRD4KCNH2SIGMAR1MEN1
SCHEMBL1811665 0.83 CCR3 (0.59) CCR3DRD4KCNH2SIGMAR1MEN1

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 1107/4885MCHR1 99/4885

“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.