SCHEMBL4240438

SCHEMBL4240438

CON=C(C)c1ccc(C2(C3CCN(C(C)CC(N)=O)CC3)Oc3ccccc3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
CHRM2 P08172 6/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
RAD52 P43351 1/20 0.31
SIRT1 Q96EB6 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE4D Q08499 2/20 0.30
PDE4B Q07343 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL4244513 0.89 CCR5 (0.47) CCR5CHRM2MAPTRAD52
SCHEMBL4240442 0.87 CCR5 (0.44) CCR5CHRM2
SCHEMBL4242941 0.86 CCR5 (0.46) CCR5CHRM2SIRT1
SCHEMBL4239988 0.84 CCR5 (0.49) CCR5CHRM2ALDH1A1
SCHEMBL4242469 0.84 CCR5 (0.51) CCR5CHRM2
SCHEMBL4240153 0.81 CCR5 (0.62) CCR5SIRT1
SCHEMBL4240609 0.81 CCR5 (0.46) CCR5HRH3SIRT1
SCHEMBL4240441 0.80 S1PR1 (0.32) ALDH1A1MAPTHPGDJAK2JAK1
SCHEMBL13931586 0.79 CCR5 (0.57) CCR5
SCHEMBL4244519 0.77 CCR5 (0.51) CCR5CHRM2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885CHRM2 1783/4885ALDH1A1 3358/4885

“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.