SCHEMBL492786

SCHEMBL492786

CCN(CCOCC(=O)NCCC1CCC(C(c2cccs2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.34
AVPR1B P47901 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
AVPR1A P37288 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 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 0.93 KDM4E (0.34) BDKRB1AVPR1BKDM4EALDH1A1MEN1
SCHEMBL493080 0.93 BDKRB1 (0.42) BDKRB1AVPR1BKDM4EALOX5
SCHEMBL493308 0.92 AVPR1B (0.37) BDKRB1AVPR1BKDM4EALDH1A1MEN1
SCHEMBL493658 0.89 MAPT (0.35) BDKRB1AVPR1BKDM4EALDH1A1MEN1
SCHEMBL493644 0.87 AVPR1A (0.40) BDKRB1AVPR1BAVPR1AEPHX2
SCHEMBL493133 0.87 BDKRB1 (0.35) BDKRB1AVPR1BALDH1A1KMT2AAVPR1A
SCHEMBL493202 0.86 BDKRB1 (0.34) BDKRB1AVPR1BAVPR1AEPHX2
SCHEMBL493374 0.86 EPHX2 (0.42) BDKRB1AVPR1BKDM4EALDH1A1MEN1
SCHEMBL492502 0.86 BDKRB1 (0.39) BDKRB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL492795 0.84 BDKRB1 (0.51) BDKRB1

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 BDKRB1 1622/4885AVPR1B 780/4885KDM4E 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.