SCHEMBL492977

SCHEMBL492977

CN(CCOCC(=O)NC1CCC(CN2CCCC2c2ccccc2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.36
SLC9A3 P48764 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.33
NPY5R Q15761 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
SCHEMBL492598 0.98 ACLY (0.37) BDKRB1SLC9A3L3MBTL1ACLYALDH1A1
SCHEMBL493513 0.91 ALDH1A1 (0.35) L3MBTL1ACLYALDH1A1TDP1PSEN1
SCHEMBL492978 0.89 ACLY (0.37) L3MBTL1ACLYALDH1A1TDP1PSEN1
SCHEMBL493311 0.85 BDKRB1 (0.41) BDKRB1
SCHEMBL493414 0.83 BDKRB1 (0.41) BDKRB1ALDH1A1GAASMN1; SMN2
SCHEMBL493014 0.79 LMNA (0.40) SLC9A3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL492816 0.79 BDKRB1 (0.36) BDKRB1SLC9A3L3MBTL1ALDH1A1MEN1
SCHEMBL492975 0.79 CACNA2D1 (0.37) BDKRB1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL3412474 0.78 L3MBTL1 (0.38) BDKRB1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL492596 0.78 ALDH1A1 (0.37) BDKRB1L3MBTL1ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BDKRB1 1622/4885SLC9A3 2717/4885L3MBTL1 4753/4885

“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.