SCHEMBL4064665

SCHEMBL4064665

CC(C)(C)OC(=O)N(Cc1ccc(CN)cc1)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 6/20 0.42
SYK P43405 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4249245 0.89 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL4932966 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6018138 0.87 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL3314672 0.86 ALDH1A1 (0.45) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL27532478 0.86 L3MBTL1 (0.46) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6018297 0.85 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL4939432 0.85 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6650007 0.84 TRPM8 (0.46) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL30441829 0.84 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL26203100 0.84 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HDAC3 867/4885HDAC1 1111/4885HDAC2 2801/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 HDAC3 545/4885HDAC1 845/4885HDAC2 1919/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HDAC3 867/4885HDAC1 1111/4885HDAC2 2801/4885

“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.