SCHEMBL492816

SCHEMBL492816

CN(C)c1ccccc1CC1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ESR2 Q92731 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATF4 P18848 1/20 0.34
SLC9A3 P48764 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 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
SCHEMBL493266 0.95 BDKRB1 (0.35) BDKRB1ALDH1A1POLBHPGDKDM4E
SCHEMBL493592 0.92 ALDH1A1 (0.37) ALDH1A1POLBHPGDKDM4EGLA
SCHEMBL493518 0.90 PTGIR (0.36) BDKRB1KMT2ASLC9A3
SCHEMBL492648 0.87 HTR2A (0.34) BDKRB1ALDH1A1POLBHPGDKDM4E
SCHEMBL493014 0.85 LMNA (0.40) ALDH1A1HPGDKMT2AMEN1SLC9A3
SCHEMBL492742 0.84 BDKRB1 (0.41) BDKRB1ALDH1A1GAAMAPT
SCHEMBL492815 0.80 BDKRB1 (0.36) BDKRB1ALDH1A1POLBHPGDKDM4E
SCHEMBL3409995 0.80 OPRM1 (0.50) BDKRB1ALDH1A1POLBHPGDKDM4E
SCHEMBL492977 0.79 BDKRB1 (0.36) BDKRB1ALDH1A1POLBGAAKMT2A
SCHEMBL493180 0.79 L3MBTL1 (0.36) BDKRB1ALDH1A1POLBHPGDKDM4E

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 1622/4885ALDH1A1 1349/4885POLB 2120/4885

“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.