SCHEMBL492633

SCHEMBL492633

CN(C)C(c1ccccc1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 4/20 0.43
PKM P14618 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40
CCR5 P51681 1/20 0.39
TGM2 P21980 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL493571 0.95 KMT2A (0.46) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL492591 0.95 TDP1 (0.44) KMT2AMAPTATMMEN1PKM
SCHEMBL492540 0.95 KMT2A (0.48) KMT2AMAPTATMMEN1PKM
SCHEMBL493187 0.94 PKM (0.44) KMT2AMAPTATMMEN1PKM
SCHEMBL493323 0.94 PKM (0.46) KMT2AMAPTATMMEN1PKM
SCHEMBL493121 0.92 PKM (0.49) KMT2AMAPTATMMEN1PKM
SCHEMBL493342 0.90 PKM (0.48) KMT2AMEN1PKMALDH1A1TSHR
SCHEMBL492712 0.89 DPP4 (0.44) KMT2AMAPTMEN1PKMALDH1A1
SCHEMBL493059 0.89 PKM (0.47) KMT2AMAPTATMMEN1PKM
SCHEMBL492906 0.88 EPHX2 (0.47) KMT2AMEN1EPHX2

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 1749/4885MAPT 1653/4885ATM 1904/4885

“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.