SCHEMBL13499673

SCHEMBL13499673

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
USP2 O75604 1/20 0.32
CPA1 P15085 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 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
SCHEMBL13499637 0.83 PDF (0.38) TSHR
SCHEMBL13499690 0.83 GRIK1 (0.36) TSHRGRIK1GRIK2
SCHEMBL13500188 0.82 GRIK1 (0.34) GRIK1GRIK2CPA1MMP1MMP2
SCHEMBL13461451 0.79 USP2 (0.34) TSHRGRIK1GRIK2USP2CPA1
SCHEMBL13434999 0.78 HDAC2 (0.32) GRIK1GRIK2USP2CPA1MMP2
SCHEMBL13499671 0.77 TSHR (0.39) TSHRGRIK1GRIK2USP2CPA1
SCHEMBL13499643 0.77 HDAC8 (0.42) TSHRMMP1MMP2MMP3MMP7
SCHEMBL9138443 0.76 GRIK1 (0.50) GRIK1GRIK2CPA1
SCHEMBL13499649 0.75 BIRC2 (0.43) MMP1MMP2MMP3MMP7MEN1
SCHEMBL11518456 0.74 TSHR (0.46) TSHRGRIK1GRIK2MMP1MMP2

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 3 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-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 TSHR 4799/4885GRIK1 2871/4885GRIK2 2965/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A TSHR 4832/4885GRIK1 2839/4885GRIK2 2914/4885

“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.