SCHEMBL492546

SCHEMBL492546

CC(Oc1ccccc1)C(=O)NCCC1CCC(C(c2ccccc2)N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CHRM4 P08173 1/20 0.39
OPRL1 P41146 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KLK7 P49862 3/20 0.38
HPGD P15428 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL493447 0.93 GAA (0.46) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL493195 0.89 GAA (0.46) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL493485 0.86 GAA (0.45) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL1328665 0.85 CNR1 (0.47) RAB9A
SCHEMBL493717 0.83 GAA (0.43) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL492809 0.83 POLB (0.47) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL492811 0.81 TSHR (0.53) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL493131 0.81 MEN1 (0.47) GAAMAPTMEN1KMT2AOPRL1
SCHEMBL493116 0.81 KLK7 (0.38) CHRM4KLK7
SCHEMBL1328428 0.78 CNR1 (0.49) GAAALDH1A1CHRM4KLK7HPGD

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 2120/4885ALDH1A1 1349/4885

“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.