SCHEMBL3712927

SCHEMBL3712927

CC(C)(C)c1coc(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
IKBKB O14920 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR4 P51679 1/20 0.33
CES1 P23141 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL5783345 0.81 CES1 (0.47) CDK8SCN9AALDH1A1IKBKBKDM4E
Potassium Ion SCHEMBL31213001 0.79 CCR4 (0.33) CCR4CES1NCEH1DAGLA
SCHEMBL12321699 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ECCR4CES1NCEH1
SCHEMBL3743295 0.78
SCHEMBL31316480 0.73 DAGLA (0.44) SCN9AALDH1A1KDM4ECES1DAGLA
SCHEMBL709372 0.71 ALDH1A1 (0.52) SCN9AALDH1A1KDM4ECES1DAGLA
SCHEMBL164107 0.71
SCHEMBL164108 0.71
SCHEMBL18407347 0.71 LMNA (0.51) ALDH1A1L3MBTL1LMNA
SCHEMBL3123457 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AURKA 4261/4885CSF1R 846/4885RET 2179/4885

“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.