SCHEMBL493699

SCHEMBL493699

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 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
SCHEMBL493818 0.98 ATM (0.38) ATMMEN1KMT2ARAB9ACYP3A4
SCHEMBL493955 0.94 RAB9A (0.38) RAB9ACYP3A4CYP2C19SLC6A2SLC6A4
SCHEMBL492997 0.93 RAB9A (0.37) MEN1KMT2ARAB9ACYP3A4CYP2C19
SCHEMBL494334 0.92 RAB9A (0.37) RAB9ACYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL493546 0.90 RAB9A (0.39) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL492720 0.90 CACNA2D1 (0.36) RAB9ACYP3A4CYP2C19SLC6A2SLC6A4
SCHEMBL493010 0.89 PTGIR (0.37) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL493388 0.88 MEN1 (0.38) ATMMEN1KMT2ACYP3A4CYP2C19
SCHEMBL493069 0.88 DRD2 (0.36) ATMMEN1KMT2ARAB9ASIGMAR1
SCHEMBL493417 0.86 MEN1 (0.38) ATMMEN1KMT2ARAB9ACYP3A4

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 ATM 1904/4885MEN1 4132/4885KMT2A 1749/4885

“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.