SCHEMBL493592

SCHEMBL493592

CN(C)c1ccccc1CC1CCC(NC(=O)COCCN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ATF4 P18848 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL492816 0.92 BDKRB1 (0.36) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL493266 0.87 BDKRB1 (0.35) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL493518 0.82 PTGIR (0.36) KMT2A
SCHEMBL492648 0.82 HTR2A (0.34) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL492775 0.81 ALDH1A1 (0.37) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL493014 0.78 LMNA (0.40) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL493513 0.78 ALDH1A1 (0.35) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL493100 0.78 ALDH1A1 (0.35) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL492978 0.77 ACLY (0.37) ALDH1A1KMT2APOLBHPGDKDM4E
SCHEMBL492742 0.76 BDKRB1 (0.41) ALDH1A1GAAMAPT

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 ALDH1A1 1349/4885KMT2A 1749/4885POLB 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.