SCHEMBL13461502

SCHEMBL13461502

CCNC(=O)C(CCC1CCCC1)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
METAP1 P53582 1/20 0.39
LTA4H P09960 1/20 0.39
METAP2 P50579 2/20 0.39
BCHE P06276 1/20 0.37
CPB2 Q96IY4 3/20 0.37
EPHX1 P07099 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
REN P00797 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ABL1 P00519 1/20 0.35
FGFR3 P22607 1/20 0.35
DDR1 Q08345 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL13461500 0.98 ALDH1A1 (0.41) ALDH1A1KMT2AMETAP1LTA4HMETAP2
SCHEMBL13461503 0.98 ALDH1A1 (0.41) ALDH1A1KMT2AMETAP1LTA4HMETAP2
SCHEMBL13461426 0.98 ALDH1A1 (0.41) ALDH1A1KMT2AMETAP1LTA4HMETAP2
SCHEMBL13461536 0.95 ALDH1A1 (0.39) ALDH1A1KMT2AMETAP1LTA4HMETAP2
SCHEMBL13461603 0.93 CYP1A2 (0.35) ALDH1A1KMT2ALTA4HMETAP2EPHX1
SCHEMBL13461525 0.89 ALDH1A1 (0.46) ALDH1A1KMT2ALTA4HMETAP2BCHE
SCHEMBL13461552 0.87 METAP2 (0.35) ALDH1A1KMT2AMETAP1METAP2BCHE
SCHEMBL13461428 0.86 METAP1 (0.38) ALDH1A1KMT2AMETAP1METAP2BCHE
SCHEMBL13461397 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ALTA4HMETAP2BCHE
SCHEMBL13461387 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ALTA4HMETAP2CPB2

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 8 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-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-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 ALDH1A1 3896/4885KMT2A 4379/4885METAP1 226/4885
US-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A ALDH1A1 3896/4885KMT2A 4379/4885METAP1 226/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A ALDH1A1 3896/4885KMT2A 4379/4885METAP1 226/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 ALDH1A1 3509/4885KMT2A 4222/4885METAP1 266/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A ALDH1A1 3896/4885KMT2A 4379/4885METAP1 226/4885

“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.