SCHEMBL493014

SCHEMBL493014

CN(CCOCC(=O)NC1CCC(Cc2ccccc2N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1A P08908 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
KRAS P01116 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.85 BDKRB1 (0.36) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL493266 0.81 BDKRB1 (0.35) ALDH1A1MEN1KMT2AHPGDKRAS
SCHEMBL493013 0.80 MEN1 (0.37) MEN1KMT2ASMN1; SMN2NAPEPLDL3MBTL1
SCHEMBL493343 0.80 NAPEPLD (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NAPEPLD
SCHEMBL492977 0.79 BDKRB1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL492646 0.79 ALDH1A1 (0.41) LMNAALDH1A1DRD2DRD3HTR2A
SCHEMBL492598 0.79 ACLY (0.37) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL493592 0.78 ALDH1A1 (0.37) ALDH1A1DRD2DRD3HTR2AHTR1A
SCHEMBL493518 0.76 PTGIR (0.36) KMT2ASLC9A3
SCHEMBL492815 0.76 BDKRB1 (0.36) ALDH1A1MEN1KMT2AHPGDMAPT

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 LMNA 2485/4885ALDH1A1 1349/4885DRD2 3432/4885

“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.