SCHEMBL4070370

SCHEMBL4070370

CC(C)(C)OC(=O)NCc1ccc(CNC2CCc3cccnc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
GRIN2B Q13224 4/20 0.42
AKT1 P31749 1/20 0.41
GRIN1 Q05586 2/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8783364 0.81 EPHX2 (0.51) NAMPTL3MBTL1DRD2KMT2A
SCHEMBL14207345 0.80 GRIN2B (0.51) HDAC1HDAC6HDAC8GRIN2BGRIN1
SCHEMBL14207337 0.80 GRIN2B (0.51) HDAC1HDAC6HDAC8GRIN2BGRIN1
SCHEMBL8783707 0.79 GRIN2B (0.67) HDAC1HDAC6HDAC8GRIN2BGRIN1
SCHEMBL4066205 0.77 HDAC1 (0.40) NAMPTHDAC1HDAC6HDAC8GRIN2B
SCHEMBL1883122 0.73 GRIN2B (0.49) L3MBTL1HDAC1HDAC6HDAC8GRIN2B
SCHEMBL29823333 0.73 GRIN2B (0.49) L3MBTL1HDAC1HDAC6HDAC8GRIN2B
SCHEMBL369055 0.73 EPHX2 (0.57) NAMPTL3MBTL1DRD2KMT2A
Bromide SCHEMBL4550684 0.72 GRIN2B (0.48) L3MBTL1HDAC1HDAC6HDAC8GRIN2B
SCHEMBL8783223 0.72 GRIN2B (0.50) HDAC1HDAC6HDAC8GRIN2BGRIN1

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 10 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
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 NAMPT 2055/4885L3MBTL1 4152/4885HDAC1 1482/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 NAMPT 2055/4885L3MBTL1 4152/4885HDAC1 1482/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 NAMPT 2055/4885L3MBTL1 4152/4885HDAC1 1482/4885

“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.