SCHEMBL4586867

SCHEMBL4586867

O=C([C@H]1CN(CC2CC2)CCN1C(=O)O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
CCR2 P41597 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
HRH1 P35367 3/20 0.42
CCR3 P51677 3/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL4589063 0.90 ENPP2 (0.46) MAPTHTTMAPK1SMN1; SMN2NOTUM
SCHEMBL1778317 0.86 CNR1 (0.47) KCNH2CCR2MAPTHTTMAPK1
SCHEMBL4587250 0.86 MAPT (0.52) MAPTHTTMAPK1SMN1; SMN2NOTUM
SCHEMBL4588966 0.85 MAPT (0.47) MAPTHTTMAPK1SMN1; SMN2NOTUM
SCHEMBL4587951 0.83 MAPT (0.43) MAPTHTTMAPK1SMN1; SMN2NOTUM
SCHEMBL1778139 0.82 MAPT (0.46) KCNH2CCR2MAPTHTTMAPK1
SCHEMBL4587345 0.82 MAPT (0.41) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL4587969 0.80 MAPT (0.45) KCNH2CCR2MAPTHTTMAPK1
SCHEMBL4589136 0.80 MAPT (0.44) KCNH2CCR2MAPTHTTMAPK1
SCHEMBL1779615 0.79 MAPT (0.48) MAPTHTTMAPK1SMN1; SMN2NOTUM

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 KCNH2 1735/4885CCR2 1/4885MAPT 4777/4885

“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.