SCHEMBL13501752

SCHEMBL13501752

CNC(=O)C(CCC1CC1)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.39
MMP13 P45452 4/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
CNR2 P34972 1/20 0.34
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 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
SCHEMBL13500158 0.97 ALDH1A1 (0.40) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13500291 0.97 MMP1 (0.42) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13500292 0.97 ALDH1A1 (0.40) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13500299 0.95 ALDH1A1 (0.41) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13500153 0.95 MMP1 (0.37) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL8288403 0.93 ALDH1A1 (0.43) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13499664 0.85 LTA4H (0.45) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13501740 0.85 ALDH1A1 (0.44) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13435021 0.84 CPB2 (0.41) MMP1MMP13ALDH1A1KMT2ALTA4H
SCHEMBL13461536 0.84 ALDH1A1 (0.39) MMP1MMP13ALDH1A1KMT2ALTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 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 (1 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 MMP1 2106/4885MMP13 2668/4885ALDH1A1 3896/4885

“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.