SCHEMBL493652

SCHEMBL493652

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
GAA P10253 2/20 0.42
FAAH O00519 2/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
LTA4H P09960 1/20 0.40
MEN1 O00255 6/20 0.40
F13A1 P00488 2/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL493574 0.86 AVPR1B (0.43) FAAHACHEBCHE
SCHEMBL492637 0.86 ALDH1A1 (0.45) KMT2AGAAFAAHACHEBCHE
SCHEMBL492954 0.85 ALDH1A1 (0.41) KMT2AGAAFAAHACHEBCHE
SCHEMBL493508 0.83 ALDH1A1 (0.42) KMT2AGAAFAAHACHEBCHE
SCHEMBL492963 0.82 ALDH1A1 (0.47) KMT2AGAAALDH1A1MAPTL3MBTL1
SCHEMBL494162 0.82 ALDH1A1 (0.42) KMT2AGAAFAAHACHEBCHE
SCHEMBL493019 0.81 CXCR3 (0.46) KMT2AMEN1
SCHEMBL492931 0.81 CCL5 (0.43) KMT2AALDH1A1MAPTL3MBTL1ATM
SCHEMBL494084 0.79 MEN1 (0.46) KMT2AGAAFAAHACHEBCHE
SCHEMBL493232 0.79 KMT2A (0.44) KMT2AGAAFAAHACHEBCHE

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 KMT2A 1749/4885GAA 445/4885FAAH 6/4885

“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.