SCHEMBL2473117

SCHEMBL2473117

CCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
SLC6A2 P23975 10/20 0.34
SLC6A4 P31645 10/20 0.34
SLC6A3 Q01959 10/20 0.34
CYP2D6 P10635 9/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 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
SCHEMBL28383552 0.88 CYP2D6 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4153301 0.84 POLB (0.34) OPRM1POLBMEN1ALDH1A1KMT2A
SCHEMBL5064874 0.83 CYP2D6 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
Trifluoroacetic Acid SCHEMBL23390509 0.82 POLB (0.31) OPRM1POLB
SCHEMBL16445833 0.82 SMN1; SMN2 (0.35) POLBMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL31663317 0.77 CYP2D6 (0.32) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13118615 0.77 OPRM1 (0.45) OPRM1SMYD3SLC6A2SLC6A4SLC6A3
SCHEMBL3951372 0.75 OPRM1 (0.44) OPRM1SMYD3SLC6A2SLC6A4SLC6A3
SCHEMBL746190 0.74 OPRM1 (0.43) OPRM1SMYD3SLC6A2SLC6A4SLC6A3
SCHEMBL15353448 0.74 OPRM1 (0.43) OPRM1SMYD3SLC6A2SLC6A4SLC6A3

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 19 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-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 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
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US 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
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 OPRM1 2655/4885SMYD3 2991/4885SLC6A2 4466/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 OPRM1 2391/4885SMYD3 2841/4885SLC6A2 4440/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 OPRM1 2391/4885SMYD3 2841/4885SLC6A2 4440/4885

“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.