SCHEMBL492637

SCHEMBL492637

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 3/20 0.44
KMT2A Q03164 6/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
TGM2 P21980 3/20 0.42
F13A1 P00488 1/20 0.42
TGM1 P22735 1/20 0.42
MEN1 O00255 5/20 0.42
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL493508 0.96 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL494084 0.91 MEN1 (0.46) ALDH1A1GAAKMT2AMAPTTGM2
SCHEMBL494162 0.91 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL492759 0.91 ALDH1A1 (0.44) ALDH1A1L3MBTL1GAAKMT2ATGM2
SCHEMBL493232 0.91 KMT2A (0.44) ALDH1A1GAAKMT2ATGM2F13A1
SCHEMBL492987 0.87 KMT2A (0.42) L3MBTL1GAAKMT2AMEN1FAAH
SCHEMBL492631 0.87 POLB (0.48) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL493652 0.86 KMT2A (0.42) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL493464 0.85 EPHX2 (0.42) ALDH1A1KMT2AMEN1FAAHBCHE
SCHEMBL494143 0.85 EPHX2 (0.47) ALDH1A1KMT2AMEN1FAAHBCHE

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 ALDH1A1 1349/4885L3MBTL1 4753/4885GAA 445/4885

“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.