SCHEMBL2470075

SCHEMBL2470075

COC(=O)C1(CN(C)C)CCNC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP2D6 P10635 6/20 0.32
SLC6A2 P23975 6/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 6/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14804610 0.81 OPRM1 (0.38) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL8516845 0.81 OPRM1 (0.38) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL13854455 0.79 CYP4F2 (0.37) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL2470817 0.79 CYP4F2 (0.37) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL15367602 0.78 CYP2D6 (0.42) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL22533021 0.77 CYP4F2 (0.47) CYP4F2CYP4A11NPSR1
SCHEMBL13092542 0.75 CYP4F2 (0.34) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL27330071 0.73 CYP4F2 (0.36) OPRM1CYP4F2CYP4A11CYP2D6SLC6A2
SCHEMBL16310454 0.73 OPRM1 (0.42) OPRM1CYP4F2CYP4A11NPSR1
SCHEMBL17144203 0.73 KDM4E (0.33) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3

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 12 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-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP 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
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 (2 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 2655/4885CYP4F2 1666/4885CYP4A11 1639/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 OPRM1 2391/4885CYP4F2 2249/4885CYP4A11 2627/4885

“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.