SCHEMBL7683513

SCHEMBL7683513

CC(C)(C)c1ccc(CN2CC(=O)N=Cc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
METAP2 P50579 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL7430313 0.85 EPHX2 (0.49) POLBKMT2AMEN1LMNATSHR
SCHEMBL7484284 0.77 HSD17B3 (0.35) NPSR1KMT2AMEN1LMNATP53
SCHEMBL7480896 0.75 ALDH1A1 (0.41) HTTNPSR1POLBKMT2AMEN1
SCHEMBL4992588 0.72 HTT (0.58) HTTNPSR1GAAGPR55POLB
SCHEMBL7479380 0.71 PDE4A (0.41) DRD2DRD4
SCHEMBL9977538 0.67 POLB (0.51) POLBKMT2AMEN1LMNATP53
SCHEMBL20354276 0.65 L3MBTL1 (0.59) POLBKMT2AMEN1HDAC6MAOB
SCHEMBL31081887 0.65 HDAC1 (0.45) HTTNPSR1GAAGPR55POLB
SCHEMBL7248765 0.65 HTT (0.50) HTTNPSR1GAAGPR55POLB
SCHEMBL21098988 0.65 KMT2A (0.58) HTTNPSR1GAAGPR55POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020111343-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-08-15 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-20020111343-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 HTT 94/4885NPSR1 1839/4885GAA 30/4885

“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.