SCHEMBL4607778

SCHEMBL4607778

O=C1N(CC2CCOC2)CC(c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
CCR5 P51681 9/20 0.40
PIK3C3 Q8NEB9 2/20 0.38
CCR4 P51679 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR6 P50406 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MDM2 Q00987 3/20 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
SCHEMBL5576527 0.85 DRD2 (0.41) DRD2CCR5PIK3C3CCR4KCNH2
SCHEMBL4597655 0.82 CCR5 (0.43) CCR5CCR4KCNH2HDAC1HDAC6
SCHEMBL4596564 0.81 CCR5 (0.53) CCR5HDAC1HDAC8HDAC6
SCHEMBL4596557 0.81 CCR5 (0.53) CCR5HDAC1HDAC8HDAC6
SCHEMBL4652432 0.80 CCR5 (0.52) CCR5PIK3C3CCR4KCNH2HTR6
SCHEMBL4652438 0.80 CCR5 (0.52) CCR5PIK3C3CCR4KCNH2HTR6
SCHEMBL4609485 0.77 SLC6A2 (0.40) DRD2CCR5CCR4KCNH2HDAC1
SCHEMBL5576431 0.77 CCR5 (0.65) CCR5CCR4KCNH2
SCHEMBL14571188 0.76 ALDH1A1 (0.40) DRD2CCR5PIK3C3HTR6MDM2
SCHEMBL4610004 0.74 CCR5 (0.50) CCR5CCR4KCNH2

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 DRD2 1758/4885CCR5 1/4885PIK3C3 4441/4885

“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.