SCHEMBL13461544

SCHEMBL13461544

CCNC(=O)C(OCC1CCCC1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.39
SLC1A2 P43004 4/20 0.39
SLC1A1 P43005 4/20 0.39
EPHX1 P07099 1/20 0.38
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
BCHE P06276 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
METAP2 P50579 2/20 0.32
FFAR1 O14842 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13461495 0.94 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1EPHX1CTSK
SCHEMBL13501743 0.84 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13499748 0.83 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13435118 0.83 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13909181 0.82 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1EPHX1CTSK
SCHEMBL13461547 0.80 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1EPHX1CTSK
SCHEMBL13461401 0.79 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1EPHX1CTSK
SCHEMBL13499740 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CTSKCTSS
SCHEMBL13501749 0.78 CNR2 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL13461549 0.77 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1EPHX1CTSK

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 6 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-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 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 (4 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-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A SLC1A3 801/4885SLC1A2 537/4885SLC1A1 743/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A SLC1A3 801/4885SLC1A2 537/4885SLC1A1 743/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 SLC1A3 1088/4885SLC1A2 706/4885SLC1A1 1042/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A SLC1A3 801/4885SLC1A2 537/4885SLC1A1 743/4885

“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.