SCHEMBL493485

SCHEMBL493485

CC(Oc1ccccc1)C(=O)NCCC1CCC(C(c2cccs2)N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
OPRL1 P41146 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL492662 0.91 GAA (0.42) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL492546 0.86 GAA (0.50) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1327597 0.82 POLB (0.44) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL493447 0.82 GAA (0.46) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1328459 0.78 CA1 (0.42) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1326846 0.77 NPC1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1327726 0.77 KDM4E (0.46) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL493195 0.76 GAA (0.46) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1326769 0.76 NPC1 (0.47) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL1327528 0.76 TP53 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2RAB9A

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 445/4885MEN1 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.