SCHEMBL493447

SCHEMBL493447

CC(Oc1ccccc1)C(=O)NCCC1CCC(C(c2ccc(F)cc2)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
KLK7 P49862 1/20 0.38
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38
PKM P14618 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL492546 0.93 GAA (0.50) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL493717 0.90 GAA (0.43) GAAPOLBMEN1KMT2AATM
SCHEMBL493241 0.83 TSHR (0.48) GAAMEN1KMT2AATMALDH1A1
SCHEMBL493195 0.83 GAA (0.46) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL493485 0.82 GAA (0.45) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL492809 0.81 POLB (0.47) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL493131 0.80 MEN1 (0.47) GAAMEN1KMT2AATMMAPT
SCHEMBL1327546 0.80 CHRM4 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL1326900 0.79 NPC1 (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1328665 0.78 CNR1 (0.47)

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
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 GAA 445/4885POLB 2120/4885MEN1 4132/4885

“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.