SCHEMBL13435001

SCHEMBL13435001

C=CCC(CC1CC1)C(=O)NC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30
LTA4H P09960 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
SCHEMBL13435002 0.94 CPB2 (0.37) THRATHRBCYP3A4TSHRCYP2C19
SCHEMBL13435000 0.94 CPB2 (0.40) CYP3A4TSHRCYP2C19CPB2CTSS
SCHEMBL13435010 0.83 GRIK1 (0.34) CPB2CTSSCTSKALDH1A1KMT2A
SCHEMBL13500187 0.82 MMP1 (0.33) THRATHRBCPB2CTSSCTSK
SCHEMBL13435003 0.82 CYP3A4 (0.35) CYP3A4TSHRCYP2C19
SCHEMBL13434984 0.80 CPB2 (0.41) CPB2CTSSCTSKALDH1A1KMT2A
SCHEMBL14117539 0.80 CPB2 (0.34) THRATHRBCPB2
SCHEMBL8241404 0.80 CPB2 (0.34) THRATHRBCPB2
SCHEMBL14375638 0.80 CPB2 (0.34) THRATHRBCPB2
SCHEMBL13499689 0.79 LTA4H (0.42) TSHRCTSSCTSKALDH1A1KMT2A

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 10 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-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-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-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-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 (5 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 THRA 4036/4885THRB 1805/4885CYP3A4 2237/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A THRA 4036/4885THRB 1805/4885CYP3A4 2237/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A THRA 4036/4885THRB 1805/4885CYP3A4 2237/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 THRA 3422/4885THRB 1217/4885CYP3A4 1996/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A THRA 4036/4885THRB 1805/4885CYP3A4 2237/4885

“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.