SCHEMBL493420

SCHEMBL493420

CN(C)C(c1cccs1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
ATF4 P18848 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.35
GAA P10253 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
SCHEMBL493632 0.92 LMNA (0.37) LMNAPOLBTDP1MAPTHTT
SCHEMBL492541 0.91 ALDH1A1 (0.45) LMNAPOLBTDP1HTTALDH1A1
SCHEMBL492401 0.89 POLB (0.40) LMNAPOLBTDP1MAPTHTT
SCHEMBL493028 0.88 L3MBTL1 (0.42) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL493347 0.88 TDP1 (0.39) LMNAPOLBTDP1MAPTHTT
SCHEMBL492827 0.88 MAPT (0.39) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL492794 0.87 ALDH1A1 (0.40) LMNAATF4HTTSMN1; SMN2ALDH1A1
SCHEMBL492731 0.85 BDKRB1 (0.41)
SCHEMBL492835 0.85 LMNA (0.43) LMNAPOLBTDP1HTTSMN1; SMN2
SCHEMBL493268 0.84 LMNA (0.38) LMNAPOLBMAPTATF4HTT

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD LMNA 2485/4885POLB 2120/4885TDP1 3893/4885

“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.