SCHEMBL2824755

SCHEMBL2824755

C=CCC(CC(C)C)C(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CPA1 P15085 3/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33
MMP7 P09237 2/20 0.33
MMP1 P03956 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL11291119 0.83 GRIK1 (0.43) GRIK1GRIK2CPA1CYP2C19LMNA
SCHEMBL112335 0.82 GRIK1 (0.39) GRIK1GRIK2RNPEPSLC7A5CPA1
SCHEMBL20953995 0.80 RNPEP (0.50) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL4795102 0.75 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CPA1
SCHEMBL7305997 0.75 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CPA1
SCHEMBL1885655 0.75 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CPA1
SCHEMBL262006 0.72 SLC7A5 (0.48) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL262005 0.72 SLC7A5 (0.48) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL22367764 0.71 GRIK1 (0.42) GRIK1GRIK2RNPEPCPA1CYP2C19
SCHEMBL2536422 0.69

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-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-7041673-B2 High speed metabolism; antiepileptic agents; anesthetics; central nervous system disorders; anxiolytic agents ARYX THERAPEUTICS, INC. (US) 2006-05-09 US disclosed
US-20040167143-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2004-08-26 US disclosed
US-6683086-B2 DERIVATIVES OF BARBITURIC AND THIOBARBITURIC ACIDS; RAPIDLY METABOLIZED BY BLOOD AND TISSUE ENZYMES TO FORM POLAR METABOLITES WITH NO HYPNOTIC ACTIVITY AND WHICH ARE RAPIDLY ELIMINATED ARYX THERAPEUTICS 2004-01-27 US disclosed
US-20030100575-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-05-29 US disclosed
EP-1276728-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYx Therapeutics (US) 2003-01-22 EP disclosed
US-6387914-B2 PROVIDING SEDATIVE-HYPNOTIC TREATMENT BY ADMINISTERING BARBITURATE DERIVATIVE COMPOUND ARYX THERAPEUTICS 2002-05-14 US disclosed
US-20020013330-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2002-01-31 US disclosed
WO-2001081319-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYX THERAPEUTICS (US) 2001-11-01 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-20040167143-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GRIK1 736/4885GRIK2 663/4885RNPEP 1167/4885
US-20030100575-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GRIK1 736/4885GRIK2 663/4885RNPEP 1167/4885
US-20020013330-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GRIK1 736/4885GRIK2 663/4885RNPEP 1167/4885

“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.