SCHEMBL13499690

SCHEMBL13499690

C=C(C)CC(C/C=C/C)C(=O)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
TSHR P16473 1/20 0.32
CTSK P43235 2/20 0.32
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL13500149 0.83 GRIK1 (0.38) GRIK1GRIK2CTSK
SCHEMBL13499673 0.83 TSHR (0.38) GRIK1GRIK2TSHR
SCHEMBL13461529 0.81 GRIK1 (0.36) GRIK1GRIK2TSHRGRNSORT1
SCHEMBL13435009 0.79 HDAC2 (0.36) GRIK1GRIK2CTSK
SCHEMBL13499682 0.77 CTSK (0.40) GRIK1GRIK2TSHRCTSK
SCHEMBL13499643 0.75 HDAC8 (0.42) TSHR
SCHEMBL13499637 0.74 PDF (0.38) TSHR
SCHEMBL24704919 0.73 CTSK (0.38) GRIK1GRIK2TSHRCTSK
SCHEMBL19033285 0.73 CTSK (0.38) GRIK1GRIK2TSHRCTSK
SCHEMBL13499693 0.73 LTA4H (0.41) GRIK1GRIK2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-07-02 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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885TSHR 4799/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GRIK1 2839/4885GRIK2 2914/4885TSHR 4832/4885

“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.