SCHEMBL4589063

SCHEMBL4589063

O=C([C@H]1CN(CC2CCOC2)CCN1C(=O)O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.46
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
NOTUM Q6P988 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4586867 0.90 KCNH2 (0.46) NPBWR1MCHR1MAPTHTTMAPK1
SCHEMBL1779997 0.88 ENPP2 (0.42) ENPP2NPBWR1MCHR1MAPTHTT
SCHEMBL1780202 0.81 CCR2 (0.49) ENPP2NPBWR1MCHR1MAPTHTT
SCHEMBL4587250 0.80 MAPT (0.52) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL4588966 0.79 MAPT (0.47) NPBWR1MCHR1MAPTHTTMAPK1
SCHEMBL4587951 0.78 MAPT (0.43) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL1778139 0.77 MAPT (0.46) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL1778317 0.77 CNR1 (0.47) NPBWR1MCHR1MAPTHTTMAPK1
SCHEMBL4587345 0.76 MAPT (0.41) MAPTHTTMAPK1SMN1; SMN2MEN1
SCHEMBL1779998 0.75 ENPP2 (0.45) ENPP2MAPTHTTMAPK1SMN1; SMN2

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 ENPP2 900/4885NPBWR1 92/4885MCHR1 586/4885

“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.