SCHEMBL13499668

SCHEMBL13499668

CCCC(CC1CC1)C(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36

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
SCHEMBL13499644 0.95 LTA4H (0.46) LTA4HHDAC7HDAC8HDAC6HDAC9
SCHEMBL13499659 0.95 LTA4H (0.49) LTA4HHDAC7HDAC8HDAC6HDAC9
SCHEMBL13499676 0.90 KMT2A (0.45) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13499653 0.86 LTA4H (0.43) LTA4HKMT2AALDH1A1CTSKFNTA
SCHEMBL13499626 0.85 KMT2A (0.50) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13499651 0.85 KMT2A (0.47) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13499662 0.83 LTA4H (0.48) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13499681 0.83 LTA4H (0.48) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13499664 0.83 LTA4H (0.45) LTA4HKMT2AALDH1A1CTSLCTSB
SCHEMBL13500239 0.82 HDAC7 (0.44) LTA4HHDAC7HDAC8HDAC6HDAC9

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 LTA4H 2299/4885HDAC7 3873/4885HDAC8 4546/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2331/4885HDAC7 3884/4885HDAC8 4493/4885

“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.