SCHEMBL4597940

SCHEMBL4597940

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NSD3 Q9BZ95 1/20 0.37
CASP3 P42574 1/20 0.36
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL4597856 0.88 CCR5 (0.45) CCR5NSD3
SCHEMBL4597932 0.88 MEN1 (0.47) CCR5MEN1KMT2ANSD3CASP3
SCHEMBL5575040 0.88 MEN1 (0.47) CCR5MEN1KMT2ANSD3CASP3
SCHEMBL4596166 0.84 NSD3 (0.40) CCR5MEN1KMT2ANSD3PARP1
SCHEMBL5575622 0.84 NSD3 (0.40) CCR5MEN1KMT2ANSD3PARP1
SCHEMBL4598041 0.84 SLC18A3 (0.39) CCR5MEN1KMT2ANSD3PARP1
SCHEMBL27747216 0.84 SLC18A3 (0.39) CCR5MEN1KMT2ANSD3PARP1
SCHEMBL5573696 0.82 GPR119 (0.45) CCR5
SCHEMBL4596578 0.82 GPR119 (0.45) CCR5
SCHEMBL4596330 0.82 MAPT (0.44) CCR5MEN1KMT2ANSD3CASP3

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 6 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
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 CCR5 1/4885MEN1 4855/4885KMT2A 4627/4885

“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.