SCHEMBL493757

SCHEMBL493757

CN(C)C(c1ccccc1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.36
ACLY P53396 2/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL493064 0.95 RAB9A (0.39) KMT2AMEN1SMN1; SMN2POLBGAA
SCHEMBL493966 0.91 ALDH1A1 (0.40) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL492906 0.88 EPHX2 (0.47) KMT2AMEN1EPHX2
SCHEMBL492633 0.88 KMT2A (0.45) KMT2AMEN1PKMEPHX2ATM
SCHEMBL492856 0.87 SMN1; SMN2 (0.40) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL492643 0.86 MEN1 (0.42) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL492866 0.86 CACNA2D1 (0.43) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL493328 0.86 BDKRB1 (0.41) KMT2AMEN1PKMGAAEPHX2
SCHEMBL493465 0.85 KMT2A (0.37) KMT2AMEN1EPHX2ACLYATM
SCHEMBL493571 0.85 KMT2A (0.46) KMT2AMEN1EPHX2ATMMAPT

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 KMT2A 1749/4885MEN1 4132/4885PKM 1161/4885

“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.