SCHEMBL4066689

SCHEMBL4066689

CC(C)(C)OC(=O)n1c(CCC=O)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAP4K1 Q92918 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL15294552 0.86 NR1H2 (0.48) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL4065436 0.85 CNR2 (0.46) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL13406308 0.85 NR1H2 (0.47) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL10197702 0.85 HDAC6 (0.61) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL14838247 0.84 CYP1A2 (0.47) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL4073633 0.84 NR1H2 (0.55) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL14300652 0.83 CYP1A2 (0.46) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL30814318 0.82 LMNA (0.41) CYP3A4NR1H2MAPT
SCHEMBL368032 0.82 CYP1A2 (0.45) CNR2HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL21651845 0.82 CYP1A2 (0.45) CNR2HDAC6CYP1A2CYP3A4CYP2D6

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 CNR2 168/4885HDAC6 805/4885MAP4K1 1476/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CNR2 127/4885HDAC6 828/4885MAP4K1 2042/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CNR2 168/4885HDAC6 805/4885MAP4K1 1476/4885

“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.