SCHEMBL4597290

SCHEMBL4597290

Cc1ccc(F)c(C2CN(C3CCOCC3)C(=O)N2C2CCNCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CCR5 P51681 13/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CCR4 P51679 2/20 0.34
KHK P50053 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33

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
SCHEMBL5576025 1.00 TP53 (0.36) TP53CCR5HTR2AHTR2CHTR2B
SCHEMBL4627815 0.81 USP30 (0.46) TP53CCR5KCNH2CCR4
SCHEMBL5573756 0.81 CCR5 (0.51) CCR5HTR2CKCNH2CCR4
SCHEMBL5573761 0.81 CCR5 (0.51) CCR5HTR2CKCNH2CCR4
SCHEMBL4597969 0.77 CCR5 (0.50) CCR5KCNH2CCR4PIK3C3
SCHEMBL4597966 0.77 CCR5 (0.50) CCR5KCNH2CCR4PIK3C3
SCHEMBL3754248 0.75 CCR5 (0.53) CCR5KCNH2CCR4
SCHEMBL3754244 0.75 CCR5 (0.53) CCR5KCNH2CCR4
SCHEMBL4652432 0.74 CCR5 (0.52) CCR5KCNH2CCR4PIK3C3
SCHEMBL4652438 0.74 CCR5 (0.52) CCR5KCNH2CCR4PIK3C3

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 4 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
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 TP53 2854/4885CCR5 1/4885HTR2A 2736/4885

“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.