SCHEMBL493658

SCHEMBL493658

CCN(CCOCC(=O)NC1CCC(C(c2cccs2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
BDKRB1 P46663 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
AVPR1B P47901 2/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 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
SCHEMBL492843 0.90 KDM4E (0.34) MAPTBDKRB1KDM4EAVPR1AALDH1A1
SCHEMBL492786 0.89 BDKRB1 (0.34) MAPTBDKRB1KDM4EAVPR1AALDH1A1
SCHEMBL493494 0.86 POLB (0.37) MAPTBDKRB1AVPR1AALDH1A1GAA
SCHEMBL492727 0.85 MAPT (0.34) MAPTBDKRB1AVPR1AALDH1A1GAA
SCHEMBL492979 0.84 EPHX2 (0.41) MAPTBDKRB1AVPR1AALDH1A1MEN1
SCHEMBL493205 0.83 BDKRB1 (0.49) BDKRB1
SCHEMBL492502 0.82 BDKRB1 (0.39) BDKRB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL492971 0.82 AVPR1A (0.41) MAPTAVPR1AALDH1A1AVPR1BLMNA
SCHEMBL493308 0.82 AVPR1B (0.37) BDKRB1KDM4EAVPR1AALDH1A1MEN1
SCHEMBL492731 0.82 BDKRB1 (0.41) BDKRB1ATM

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 MAPT 1653/4885BDKRB1 1622/4885KDM4E 2178/4885

“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.