SCHEMBL12879227

SCHEMBL12879227

CON(C)C(=O)C1CCN(B(C)O)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TP53 P04637 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
SCHEMBL415332 0.90 — —
SCHEMBL13391543 0.83 — —
SCHEMBL19798957 0.81 BCHE (0.35) —
SCHEMBL12050687 0.81 SMN1; SMN2 (0.33) MAPTSMN1; SMN2TP53
SCHEMBL2535091 0.79 SMN1; SMN2 (0.37) MAPTSMN1; SMN2TP53
SCHEMBL31623264 0.78 HSD11B1 (0.33) —
SCHEMBL428708 0.78 — —
SCHEMBL17464288 0.77 — —
SCHEMBL2213404 0.76 MAPT (0.38) MAPTSMN1; SMN2
SCHEMBL190770 0.76 KDM4E (0.38) MAPTSMN1; SMN2

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 7 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-7332607-B2 Processes for the preparation of (R)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS HOLDINGS INC. (US) 2008-02-19 — — US disclosed
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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 (5 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 MAPT 3683/4885SMN1; SMN2 4316/4885TP53 112/4885
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL ADRM1, CYP2E1, OPRD1 MAPT 3033/4885SMN1; SMN2 1908/4885TP53 4244/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 MAPT 3731/4885SMN1; SMN2 3973/4885TP53 135/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 MAPT 3519/4885SMN1; SMN2 3842/4885TP53 120/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 MAPT 3056/4885SMN1; SMN2 2417/4885TP53 4087/4885

“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.

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