SCHEMBL4072938

SCHEMBL4072938

CC(C)(C)OC(=O)NCc1ccc(CN(Cc2nc3ccccc3n2C(=O)OC(C)(C)C)C2CCc3cccnc3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
NAMPT P43490 2/20 0.38
SCN9A Q15858 8/20 0.36
CYP3A4 P08684 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.36
AKT1 P31749 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.34
GCGR P47871 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 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
SCHEMBL3374966 0.78 CXCR4 (0.45)
SCHEMBL3373767 0.77 CXCR4 (0.44) CYP3A4
SCHEMBL14207338 0.77 LMNA (0.41) KMT2A
SCHEMBL5054280 0.76 CXCR4 (0.54)
SCHEMBL3370742 0.76 CXCR4 (0.50)
SCHEMBL3801910 0.76 CXCR4 (0.46)
SCHEMBL5057529 0.75 CXCR4 (0.58)
SCHEMBL5050995 0.75 CXCR4 (0.48) CYP3A4
SCHEMBL5050990 0.75 CXCR4 (0.48) CYP3A4
SCHEMBL5050984 0.75 CXCR4 (0.48) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 BRD4 584/4885NAMPT 2055/4885SCN9A 3814/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 BRD4 584/4885NAMPT 2055/4885SCN9A 3814/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 BRD4 584/4885NAMPT 2055/4885SCN9A 3814/4885

“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.