SCHEMBL4244823

SCHEMBL4244823

CC(CC(N)=O)N1CCC(N(Cc2cc(Cl)ccc2F)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.45
DCUN1D1 Q96GG9 5/20 0.45
CXCR3 P49682 3/20 0.42
CCR5 P51681 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TAS2R14 Q9NYV8 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
BACE1 P56817 2/20 0.40

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
SCHEMBL4241198 0.90 UBE2M (0.47) UBE2MDCUN1D1CCR5CNR1CNR2
SCHEMBL4242936 0.87 CCR5 (0.40) UBE2MDCUN1D1CCR5
SCHEMBL4248482 0.83 CCR5 (0.41) UBE2MDCUN1D1CCR5
SCHEMBL4242202 0.82 CCR5 (0.51) CCR5TAS2R14
SCHEMBL4241358 0.82 CCR5 (0.41) UBE2MDCUN1D1CCR5
SCHEMBL4247034 0.81 CCR5 (0.57) CCR5
SCHEMBL4236874 0.81 CCR5 (0.47) CCR5
SCHEMBL4242432 0.81 CCR5 (0.48) UBE2MDCUN1D1CCR5
SCHEMBL4238954 0.81 CCR5 (0.48) CCR5
SCHEMBL4236938 0.80 UBE2M (0.42) UBE2MDCUN1D1CCR5

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 UBE2M 4562/4885DCUN1D1 3581/4885CXCR3 2/4885

“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.