SCHEMBL4795102

SCHEMBL4795102

C=CC[C@H](CC(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.62
GRIK2 Q13002 7/20 0.62
CPA1 P15085 2/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MME P08473 1/20 0.41
SLC1A1 P43005 1/20 0.38
ATM Q13315 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1885655 1.00 GRIK1 (0.62) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL7305997 1.00 GRIK1 (0.62) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL6050002 0.89 GRIK1 (0.75) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL7600008 0.82 GRIK1 (0.56) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL891727 0.81 GRIK1 (0.64) GRIK1GRIK2CPA1CYP2C19
SCHEMBL19483375 0.81 GRIK1 (0.41) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL19483400 0.81 GRIK1 (0.41) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL5849604 0.81 GRIK1 (0.50) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL526016 0.80 SLC1A3 (0.52) GRIK1GRIK2CPA1SLC1A3SLC1A2
SCHEMBL3111378 0.79 SLC1A3 (0.47) GRIK1GRIK2CPA1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
WO-2007021793-A1 MACROCYCLIC DIAMINOPROPANES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-22 WO disclosed
WO-2007021793-A1 MACROCYCLIC DIAMINOPROPANES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-22 WO disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US disclosed
WO-2006026204-A2 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-09 WO disclosed
US-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors THOMPSON LORIN A III 2006-03-02 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-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, BACE2, APP GRIK1 348/4885GRIK2 629/4885CPA1 1213/4885
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 GRIK1 1962/4885GRIK2 1549/4885CPA1 996/4885

“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.