SCHEMBL4240612

SCHEMBL4240612

CC(CC(N)=O)N1CCC(C2(c3ccccc3-c3ccc(C#N)cc3)OC=CO2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CHRM3 P20309 1/20 0.35
KDM1A O60341 4/20 0.33
OGA O60502 2/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MEN1 O00255 3/20 0.32
CCR5 P51681 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL4239990 0.88 CCR5 (0.33) CHRM3MEN1CCR5
SCHEMBL4242470 0.88 BRD4 (0.36) BRD4CHRM3CCR5
SCHEMBL4244517 0.87 OPRM1 (0.34)
SCHEMBL4242945 0.86 TNF (0.39) BRD4CHRM3TNFKDM4EALDH1A1
SCHEMBL4240155 0.86 CCR5 (0.41) CHRM3OGACCR5
SCHEMBL4240441 0.83 S1PR1 (0.32) ALDH1A1HPGD
SCHEMBL4240054 0.81 CCR5 (0.46) CCR5
SCHEMBL4240609 0.79 CCR5 (0.46) BRD4HRH3OGACCR5
SCHEMBL4243373 0.74 SIGMAR1 (0.36) CHRM3ALDH1A1CCR5
SCHEMBL4236297 0.73 PTGS2 (0.36) MEN1

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 BRD4 1506/4885HRH3 703/4885CHRM3 443/4885

“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.