SCHEMBL4242947

SCHEMBL4242947

COc1ccc(C2(C3CCN(C(C)CCN)CC3)Oc3ccccc3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
SLC6A4 P31645 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GAA P10253 1/20 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
SCHEMBL4241258 0.88 CCR5 (0.39) CCR5MEN1KMT2A
SCHEMBL4245517 0.88 CCR5 (0.49) CCR5UBE2MDCUN1D1SLC6A4SLC6A2
SCHEMBL4239992 0.87 CCR5 (0.49) CCR5UBE2MDCUN1D1OPRM1OPRD1
SCHEMBL4242471 0.87 CCR5 (0.51) CCR5MEN1KMT2AUBE2MDCUN1D1
SCHEMBL4236434 0.85 CCR5 (0.46) CCR5UBE2MDCUN1D1
SCHEMBL4240091 0.85 CCR5 (0.48) CCR5UBE2MDCUN1D1SLC6A4SLC6A2
SCHEMBL4242941 0.85 CCR5 (0.46) CCR5UBE2MDCUN1D1SIRT2SIRT1
SCHEMBL4239108 0.84 CCR5 (0.62) CCR5UBE2MDCUN1D1SLC6A4SIRT2
SCHEMBL4240043 0.84 CCR5 (0.46) CCR5
SCHEMBL4240614 0.84 CCR5 (0.46) CCR5MEN1OPRM1OPRD1OPRK1

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 1/4885MEN1 4855/4885KMT2A 4728/4885

“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.