SCHEMBL492987

SCHEMBL492987

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CACNA1B Q00975 3/20 0.40
RORC P51449 2/20 0.40
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL493508 0.91 ALDH1A1 (0.42) KMT2AGAAMEN1FAAHBCHE
SCHEMBL493254 0.88 GAA (0.44) KMT2AGAAHPGDCACNA1BRORC
SCHEMBL492759 0.87 ALDH1A1 (0.44) KMT2AGAAMEN1FAAHBCHE
SCHEMBL492637 0.87 ALDH1A1 (0.45) KMT2AGAAMEN1FAAHBCHE
SCHEMBL494084 0.86 MEN1 (0.46) KMT2AGAAMEN1FAAHBCHE
SCHEMBL494162 0.86 ALDH1A1 (0.42) KMT2AGAAMEN1FAAHBCHE
SCHEMBL492631 0.86 POLB (0.48) KMT2AGAAMEN1L3MBTL1
SCHEMBL493232 0.86 KMT2A (0.44) KMT2AGAAMEN1FAAHBCHE
SCHEMBL492793 0.84 GAA (0.43) KMT2AGAAHPGDCACNA1BRORC
SCHEMBL494143 0.84 EPHX2 (0.47) KMT2AHPGDMEN1FAAHBCHE

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 445/4885HPGD 213/4885

“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.