SCHEMBL13435010

SCHEMBL13435010

C/C=C/CC(CC1CC1)C(=O)NC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CTSK P43235 3/20 0.33
CPB2 Q96IY4 1/20 0.33
HDAC2 Q92769 1/20 0.33
CTSS P25774 1/20 0.32
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL13435008 0.94 CPB2 (0.39) GRIK1GRIK2CTSKCPB2HDAC2
SCHEMBL13435011 0.94 CPB2 (0.37) GRIK1GRIK2CTSKCPB2HDAC2
SCHEMBL13435001 0.83 THRA (0.35) GRIK1GRIK2CTSKCPB2CTSS
SCHEMBL13500150 0.83 GRIK1 (0.37) GRIK1GRIK2CTSKCTSS
SCHEMBL13435013 0.82 CTSK (0.35) GRIK1GRIK2CTSKHDAC2
SCHEMBL13913690 0.80 CPB2 (0.33) CTSKCPB2HDAC2
SCHEMBL14375685 0.80 CPB2 (0.33) CTSKCPB2HDAC2
SCHEMBL8244212 0.80 CPB2 (0.33) CTSKCPB2HDAC2
SCHEMBL13461388 0.80 GRIK1 (0.35) GRIK1GRIK2ALDH1A1KMT2A
SCHEMBL13499693 0.80 LTA4H (0.41) GRIK1GRIK2CTSKALDH1A1KMT2A

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-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 US disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 US disclosed
US-7498324-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-03 US disclosed
US-7498324-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-03 US disclosed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US disclosed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US disclosed
US-7390802-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-26 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 (6 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-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885CTSK 933/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885CTSK 933/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885CTSK 933/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885CTSK 933/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 GRIK1 3263/4885GRIK2 3255/4885CTSK 900/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A GRIK1 2871/4885GRIK2 2965/4885CTSK 933/4885

“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.