SCHEMBL7475740

SCHEMBL7475740

CC(C)CN1C(=O)CC(=O)N(CC(C)C)c2ccccc21.CC(C)CN1C(=O)CC(=O)N(CC(C)C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
AKR1B1 P15121 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL4422219 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL18926928 0.87 PRMT5 (0.53) PRMT5WDR77BMPR1BBMPR1ATGFBR1
SCHEMBL12148577 0.81 GAA (0.50) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL3419077 0.77 GAA (0.47) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL20734714 0.77 BMPR1B (0.49) ALDH1A1GAAPRMT5WDR77BMPR1B
SCHEMBL8898463 0.75 CCKBR (0.50) ALDH1A1HSD17B10L3MBTL1MAPTKMT2A
SCHEMBL8083936 0.74 LMNA (0.46) ALDH1A1HSD17B10L3MBTL1TSHRMAPT
SCHEMBL4413460 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL7818455 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL26237334 0.74 PRMT5 (0.44) ALDH1A1HSD17B10L3MBTL1TSHRKMT2A

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-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-05-02 US disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO 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-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 4216/4885HSD17B10 1264/4885L3MBTL1 3555/4885

“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.