SCHEMBL4597318

SCHEMBL4597318

COC(=O)N1CC(CC(C)C)N(C2CCNCC2)C1=O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL4597312 1.00 FFAR3 (0.30) FFAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5573872 0.82 MAPT (0.40)
SCHEMBL5573878 0.82 MAPT (0.40)
SCHEMBL4597552 0.74 LMNA (0.36)
SCHEMBL5576309 0.74 LMNA (0.36)
SCHEMBL4597932 0.72 MEN1 (0.47) BRD4CREBBP
SCHEMBL5575040 0.72 MEN1 (0.47) BRD4CREBBP
SCHEMBL5572600 0.72 CCR5 (0.35)
SCHEMBL5572595 0.72 CCR5 (0.35)
SCHEMBL4597948 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 FFAR3 278/4885CHRNB2 2126/4885CHRNB4 1051/4885

“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.