SCHEMBL12879207

SCHEMBL12879207

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
HDAC1 Q13547 2/20 0.46
PARP1 P09874 1/20 0.46
HSD11B1 P28845 1/20 0.44
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
RET P07949 2/20 0.40
KDM4C Q9H3R0 1/20 0.38
CCR2 P41597 1/20 0.37
GRM2 Q14416 1/20 0.37
IDH1 O75874 1/20 0.36
SPR P35270 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL1199139 1.00 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL9142139 0.81 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL9142136 0.81 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL9142142 0.81 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL31283824 0.80 GPR119 (0.51) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL21737995 0.77 PARP1 (0.44) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL21738004 0.77 PARP1 (0.44) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL38661622 0.77 GPR119 (0.52) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL29877289 0.77 GPR119 (0.48) GPR119HDAC1PARP1HSD11B1F13A1
SCHEMBL23060636 0.76 HDAC1 (0.60) GPR119HDAC1PARP1HSD11B1F13A1

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
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 GPR119 1862/4885HDAC1 69/4885PARP1 1085/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 GPR119 1217/4885HDAC1 97/4885PARP1 1010/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 GPR119 1990/4885HDAC1 115/4885PARP1 905/4885

“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.