SCHEMBL5576527

SCHEMBL5576527

O=C1N(CC2OCCO2)CC(c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
CCR5 P51681 8/20 0.38
CCR4 P51679 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR6 P50406 1/20 0.36
MDM2 Q00987 2/20 0.35
MET P08581 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL4610033 0.85 CCR5 (0.43) CCR5CCR4KCNH2HDAC1HDAC6
SCHEMBL4607778 0.85 DRD2 (0.44) DRD2CCR5CCR4KCNH2HTR6
SCHEMBL5573793 0.82 SMN1; SMN2 (0.44) CCR5CCR4KCNH2HDAC1HDAC6
SCHEMBL4609485 0.80 SLC6A2 (0.40) DRD2CCR5CCR4KCNH2MDM2
SCHEMBL14571188 0.78 ALDH1A1 (0.40) DRD2CCR5HTR6MDM2PIK3C3
SCHEMBL4652432 0.78 CCR5 (0.52) CCR5CCR4KCNH2HTR6PIK3C3
SCHEMBL4652438 0.78 CCR5 (0.52) CCR5CCR4KCNH2HTR6PIK3C3
SCHEMBL4610004 0.76 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4609996 0.76 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4598546 0.76 ALDH1A1 (0.41) DRD2CCR5HTR6MDM2PIK3C3

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 DRD2 1758/4885CCR5 1/4885CCR4 2/4885

“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.