SCHEMBL2473121

SCHEMBL2473121

CCOC(=O)C1(C(C)(C)O[SiH2]C(C)(C)C)CCNC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.33

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
SCHEMBL4153304 0.84 POLB (0.33) OPRM1SLC6A4POLB
SCHEMBL16445834 0.81 SMN1; SMN2 (0.36) OPRM1SLC6A4POLB
SCHEMBL1684094 0.71 OPRM1 (0.48) OPRM1SLC6A2SLC6A4SLC6A3POLB
Hydrochloric Acid SCHEMBL1282441 0.70 OPRM1 (0.47) OPRM1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL24094554 0.69 OPRM1 (0.47) OPRM1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL4139639 0.68 FFAR3 (0.31)
SCHEMBL2467508 0.68 OPRM1 (0.32) OPRM1
SCHEMBL15760245 0.67 OPRM1 (0.46) OPRM1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL13118615 0.66 OPRM1 (0.45) OPRM1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL16075830 0.66 ALDH1A1 (0.39) OPRM1SLC6A4POLB

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
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-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-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 2655/4885SLC6A2 4466/4885SLC6A4 4193/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 OPRM1 2391/4885SLC6A2 4440/4885SLC6A4 4280/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 OPRM1 2391/4885SLC6A2 4440/4885SLC6A4 4280/4885

“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.