SCHEMBL7019713

SCHEMBL7019713

CC(C)=CCCC(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.53
GRIK2 Q13002 3/20 0.53
ARG2 P78540 1/20 0.50
GSR P00390 2/20 0.46
CYP1A2 P05177 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK3 Q13003 1/20 0.46

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
SCHEMBL31275768 0.80 KMT2A (0.52) GRIK1GRIK2ARG2GSRCYP1A2
SCHEMBL11354511 0.78 ALOX15 (0.42) GRIK1GRIK2ALDH1A1ALOX15KMT2A
SCHEMBL29950721 0.77 GRIK1 (0.68) GRIK1GRIK2GRIA1GRIA2SLC1A3
SCHEMBL4854891 0.77 GRIK1 (0.68) GRIK1GRIK2GRIA1GRIA2SLC1A3
SCHEMBL12064021 0.77 GRIK1 (0.68) GRIK1GRIK2GRIA1GRIA2SLC1A3
Hydrochloric Acid SCHEMBL11361480 0.77 ALOX15 (0.41) GRIK1GRIK2ALDH1A1ALOX15KMT2A
SCHEMBL5369538 0.76 ALDH1A1 (0.51) CYP1A2ALDH1A1ALOX15BLMFNTA
SCHEMBL18735918 0.75 ALOX15 (0.41) GRIK1GRIK2ALDH1A1ALOX15KMT2A
SCHEMBL19800869 0.75 BHMT (0.49) GRIK1GRIK2GSRCYP1A2GRM8
SCHEMBL19800785 0.75 BHMT (0.54) GRIK1GRIK2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-1276712-A2 2,6-DIAMINO-6-METHYL-HEPTANOIC ACID AND DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF Degussa AG (DE) 2003-01-22 EP disclosed
US-6504047-B2 2,6-diamino-6-methyl-heptanoic acid and derivatives as chemical intermediates useful for preperation of biological active compounds such as alpha-amino-epsilon caprolactam derivatives DEGUSSA AG (DE) 2003-01-07 US disclosed
US-20020016366-A1 2,6-diamino-6-methyl-heptanoic acid and derivatives, process for the preparation thereof and use thereof DEGUSSA AG (DE) 2002-02-07 US disclosed
WO-2001083423-A2 2,6-DIAMINO-6-METHYL-HEPTANOIC ACID AND DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF DEGUSSA AG (DE) 2001-11-08 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-20020016366-A1 2,6-diamino-6-methyl-heptanoic acid and derivatives, process for the preparation thereof and use thereof CYP2D6, CYP2B6, CYP2A6 GRIK1 656/4885GRIK2 1205/4885ARG2 3599/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GRIK1 2914/4885GRIK2 3197/4885ARG2 316/4885

“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.