SCHEMBL493632

SCHEMBL493632

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 2/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.34

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
SCHEMBL493420 0.92 LMNA (0.38) LMNATP53MAPTTDP1ALDH1A1
SCHEMBL492541 0.91 ALDH1A1 (0.45) LMNATDP1ALDH1A1PKMPOLB
SCHEMBL493028 0.90 L3MBTL1 (0.42) LMNATP53MAPTALDH1A1PKM
SCHEMBL492497 0.89 MEN1 (0.36) TP53MAPTTDP1ALDH1A1PKM
SCHEMBL492827 0.88 MAPT (0.39) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL493462 0.88 TP53 (0.37) LMNATP53MAPTTDP1ALDH1A1
SCHEMBL492945 0.87 LMNA (0.41) LMNAALDH1A1PKMPOLBMEN1
SCHEMBL492822 0.87 LMNA (0.40) LMNAALDH1A1PKMPOLBMEN1
SCHEMBL492835 0.86 LMNA (0.43) LMNATDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL492731 0.85 BDKRB1 (0.41)

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 7 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
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 2485/4885TP53 4136/4885MAPT 1653/4885

“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.