SCHEMBL4244513

SCHEMBL4244513

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.47
CHRM2 P08172 6/20 0.35
RAD52 P43351 1/20 0.33
NPC1 O15118 1/20 0.32
OPRD1 P41143 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL4239988 0.89 CCR5 (0.49) CCR5CHRM2UBE2MDCUN1D1
SCHEMBL4242469 0.89 CCR5 (0.51) CCR5CHRM2UBE2MDCUN1D1
SCHEMBL4240438 0.89 CCR5 (0.43) CCR5CHRM2RAD52MAPT
SCHEMBL4244519 0.88 CCR5 (0.51) CCR5CHRM2OPRD1MAPTSMN1; SMN2
SCHEMBL4242941 0.87 CCR5 (0.46) CCR5CHRM2UBE2MDCUN1D1
SCHEMBL4240609 0.86 CCR5 (0.46) CCR5OPRD1
SCHEMBL4240153 0.86 CCR5 (0.62) CCR5UBE2MDCUN1D1
SCHEMBL4244517 0.78 OPRM1 (0.34) RAD52NPC1
SCHEMBL13931585 0.76 CCR5 (0.61) CCR5
SCHEMBL4240091 0.73 CCR5 (0.48) CCR5UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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 1783/4885RAD52 4241/4885

“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.