SCHEMBL4240707

SCHEMBL4240707

C[C@H](CCNC(=O)OC(C)(C)C)N1CCC(NC(c2ccc(F)cc2)c2ccsc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 4/20 0.41
CCR5 P51681 12/20 0.40
KCNH2 Q12809 4/20 0.37
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4242106 0.87 CCR5 (0.38) KDM4DCCR5KCNH2DRD2NPC1
SCHEMBL4240711 0.82 CCR5 (0.60) CCR5KCNH2
SCHEMBL4240709 0.82 CCR5 (0.60) CCR5KCNH2
SCHEMBL3757430 0.79 CCR5 (0.45) CCR5KCNH2
SCHEMBL3757433 0.79 CCR5 (0.45) CCR5KCNH2
SCHEMBL4236555 0.76 CCR5 (0.57) CCR5KCNH2
SCHEMBL4239882 0.75 CCR5 (0.57) CCR5KCNH2
SCHEMBL3757466 0.74 CCR5 (0.41) KDM4DCCR5KCNH2DRD2
SCHEMBL3764142 0.73 CCR5 (0.39) KDM4DCCR5KCNH2DRD2
SCHEMBL4236514 0.73 CCR5 (0.60) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4D 4659/4885CCR5 1/4885KCNH2 4679/4885

“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.