SCHEMBL4597932

SCHEMBL4597932

COC(=O)N1C[C@@H](c2ccccc2)N(C2CCNCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR5 P51681 8/20 0.39
NSD3 Q9BZ95 1/20 0.38
CASP3 P42574 1/20 0.37
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
PAX8 Q06710 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL5575040 1.00 MEN1 (0.47) MEN1KMT2ACCR5NSD3CASP3
SCHEMBL4596330 0.88 MAPT (0.44) MEN1KMT2ACCR5NSD3CASP3
SCHEMBL4597940 0.88 CCR5 (0.38) MEN1KMT2ACCR5NSD3CASP3
SCHEMBL4596334 0.88 MAPT (0.44) MEN1KMT2ACCR5NSD3CASP3
SCHEMBL5575622 0.86 NSD3 (0.40) MEN1KMT2ACCR5NSD3
SCHEMBL4596166 0.86 NSD3 (0.40) MEN1KMT2ACCR5NSD3
SCHEMBL4598041 0.86 SLC18A3 (0.39) MEN1KMT2ACCR5NSD3SLC6A2
SCHEMBL27747216 0.86 SLC18A3 (0.39) MEN1KMT2ACCR5NSD3SLC6A2
SCHEMBL4597856 0.86 CCR5 (0.45) CCR5NSD3
SCHEMBL4598194 0.83 CCR5 (0.41) CCR5NSD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 MEN1 4855/4885KMT2A 4627/4885CCR5 1/4885

“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.