SCHEMBL4596166

SCHEMBL4596166

CC(=O)N1CC(c2ccccc2)N(C2CCNCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.40
CCR5 P51681 8/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK1 Q13546 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL5575622 1.00 NSD3 (0.40) NSD3CCR5ALDH1A1SLC18A3SIGMAR1
SCHEMBL27747216 0.90 SLC18A3 (0.39) NSD3CCR5SLC18A3SIGMAR1MEN1
SCHEMBL4598041 0.90 SLC18A3 (0.39) NSD3CCR5SLC18A3SIGMAR1MEN1
SCHEMBL4597856 0.86 CCR5 (0.45) NSD3CCR5SLC18A3SIGMAR1RIPK1
SCHEMBL4598194 0.86 CCR5 (0.41) NSD3CCR5SLC18A3SIGMAR1RIPK1
SCHEMBL4597932 0.86 MEN1 (0.47) NSD3CCR5MEN1KMT2A
SCHEMBL5575040 0.86 MEN1 (0.47) NSD3CCR5MEN1KMT2A
SCHEMBL4596330 0.84 MAPT (0.44) NSD3CCR5ALDH1A1MEN1KMT2A
SCHEMBL4596334 0.84 MAPT (0.44) NSD3CCR5ALDH1A1MEN1KMT2A
SCHEMBL4597940 0.84 CCR5 (0.38) NSD3CCR5MEN1KMT2APARP1

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 NSD3 4084/4885CCR5 1/4885ALDH1A1 3484/4885

“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.