SCHEMBL4587345

SCHEMBL4587345

O=C([C@H]1CN(CCCC(F)(F)F)CCN1C(=O)O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
DRD4 P21917 1/20 0.40
CACNA1G O43497 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL4587951 0.94 MAPT (0.43) MAPTHTTMAPK1DRD2DRD3
SCHEMBL1778958 0.88 MAPT (0.44) MAPTHTTMAPK1DRD2DRD3
SCHEMBL4588156 0.83 HTR7 (0.41) MAPTHTTMAPK1DRD2DRD3
SCHEMBL1779662 0.82 MAPT (0.45) MAPTHTTMAPK1DRD2DRD3
SCHEMBL4587250 0.82 MAPT (0.52) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL4586867 0.82 KCNH2 (0.46) MAPTHTTMAPK1DRD2SMN1; SMN2
SCHEMBL4588966 0.81 MAPT (0.47) MAPTHTTMAPK1DRD2SMN1; SMN2
SCHEMBL1778625 0.80 CCR2 (0.50) MAPTHTTMAPK1DRD2DRD3
SCHEMBL1779616 0.77 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL1779615 0.77 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 MAPT 4777/4885HTT 4706/4885MAPK1 1804/4885

“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.