SCHEMBL13993014

SCHEMBL13993014

CC(=O)/C(C#N)=C/CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL15606 0.83 GRIK1 (0.42) GRIK1ALDH1A1KDM4ELMNAATM
SCHEMBL15607 0.83 GRIK1 (0.42) GRIK1ALDH1A1KDM4ELMNAATM
SCHEMBL7563918 0.83 GRIK1 (0.42) GRIK1ALDH1A1KDM4ELMNAATM
SCHEMBL28312635 0.82 EGFR (0.41) GRIK1ALDH1A1TDP1CYP2C9KDM4E
SCHEMBL27365320 0.80 GRIK1 (0.33) GRIK1CYP2C9
SCHEMBL5644185 0.79 ADORA2A (0.37) GRIK1ALDH1A1TDP1CYP2C9KDM4E
SCHEMBL15688613 0.79 ADORA2A (0.37) GRIK1ALDH1A1TDP1CYP2C9KDM4E
SCHEMBL31126660 0.76 ALDH1A1 (0.46) ALDH1A1TDP1CYP2C9KDM4ELMNA
SCHEMBL1419493 0.76 CYP2C9 (0.56) ALDH1A1TDP1CYP2C9KDM4ELMNA
SCHEMBL1419495 0.76 CYP2C9 (0.56) ALDH1A1TDP1CYP2C9KDM4ELMNA

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-7462738-B2 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-09 US disclosed
US-20080026433-A1 Use of enzymatic resolution for the preparation of intermediates of pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 US disclosed
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-12-20 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 (1 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-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof RIMKLA, GABRE, GRIK5 GRIK1 51/4885ALDH1A1 1872/4885TDP1 4316/4885

“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.