SCHEMBL2401455

SCHEMBL2401455

CCNC(=O)OCC[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA4 P43681 2/20 0.56
SLC1A1 P43005 7/20 0.42
SLC1A3 P43003 5/20 0.42
SLC1A2 P43004 5/20 0.42
GRIK1 P39086 3/20 0.42
GRIK2 Q13002 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOD1 Q9Y239 3/20 0.40
SLC7A5 Q01650 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL9845084 0.79 GSR (0.43) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL9845087 0.79 GSR (0.43) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL1782303 0.77 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL17852152 0.77 ACHE (0.54) ACHE
SCHEMBL15469777 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL16674069 0.76 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL23385458 0.76 ACHE (0.53) NOD1ACHE
SCHEMBL23608137 0.76 ACHE (0.53) NOD1ACHE
SCHEMBL23607693 0.76 ACHE (0.53) NOD1ACHE
SCHEMBL29714769 0.76 SLC1A1 (0.46) SLC1A1SLC1A3SLC1A2GRIK1GRIK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130211078-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A CARBAMATE INTERMEDIATE NOVUS INTERNATIONAL INC. (US) 2013-08-15 US disclosed
US-8476427-B2 Preparation of methionine or selenomethionine from homoserine via a carbamate intermediate NOVUS INTERNATIONAL, INC. (US) 2013-07-02 US disclosed
US-20110224430-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A CARBAMATE INTERMEDIATE NOVUS INTERNATIONAL INC. (US) 2011-09-15 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 (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-20110224430-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A CARBAMATE INTERMEDIATE MTR, CTH, BHMT2 CHRNB2 3321/4885CHRNB4 3353/4885CHRNA3 3219/4885
US-20130211078-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A CARBAMATE INTERMEDIATE MTR, CTH, BHMT2 CHRNB2 3321/4885CHRNB4 3353/4885CHRNA3 3219/4885

“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.