SCHEMBL4215944

SCHEMBL4215944

COC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
UTS2R Q9UKP6 4/20 0.46
CCR3 P51677 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
S1PR1 P21453 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CHEK2 O96017 1/20 0.40

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 0.91 DRD4 (0.50) DRD4UTS2RCCR3SIGMAR1S1PR1
SCHEMBL4215942 0.81 CCR3 (0.59) DRD4CCR3SIGMAR1KCNH2MCHR1
SCHEMBL4215947 0.81 CCR3 (0.59) DRD4CCR3SIGMAR1KCNH2MCHR1
SCHEMBL4220802 0.79 CCR3 (0.40) DRD4UTS2RCCR3S1PR5MCHR1
SCHEMBL4220091 0.79 DRD4 (0.45) DRD4CCR3SIGMAR1KCNH2S1PR5
SCHEMBL4496189 0.78 DRD4 (0.51) DRD4CCR3SIGMAR1S1PR1HTR2A
SCHEMBL4224847 0.74 CCR3 (0.41) DRD4UTS2RCCR3S1PR5SMN1; SMN2
SCHEMBL5832363 0.73 CCR3 (0.62) DRD4CCR3SIGMAR1KCNH2MAPK1
SCHEMBL4226689 0.72 CCR3 (0.60) DRD4CCR3SIGMAR1S1PR1HTR2A
SCHEMBL4226695 0.72 CCR3 (0.60) DRD4CCR3SIGMAR1S1PR1HTR2A

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 DRD4 1107/4885UTS2R 476/4885CCR3 1/4885

“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.