SCHEMBL13499748

SCHEMBL13499748

CC(C)NC(=O)C(OCC1CCCC1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
CTSK P43235 2/20 0.35
METAP2 P50579 1/20 0.35
CTSS P25774 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
KLK7 P49862 3/20 0.34
PSMB5 P28074 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL13499740 0.95 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13501743 0.86 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13435118 0.84 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CTSKMETAP2
SCHEMBL13461544 0.83 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSKMETAP2
SCHEMBL13499749 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1CTSKMETAP2
SCHEMBL13909181 0.81 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1CTSKMETAP2
SCHEMBL13499744 0.79 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CTSKMETAP2
SCHEMBL13501749 0.79 CNR2 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL13435110 0.78 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL13499733 0.76 TSHR (0.34) CTSKMETAP2CTSSALDH1A1

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 SLC1A3 801/4885SLC1A2 537/4885SLC1A1 743/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A SLC1A3 864/4885SLC1A2 667/4885SLC1A1 785/4885

“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.