SCHEMBL493323

SCHEMBL493323

CN(C)C(c1ccccc1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 10/20 0.44
MEN1 O00255 5/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TGM2 P21980 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
SCHEMBL493187 0.97 PKM (0.44) PKMPOLBKMT2AMEN1TSHR
SCHEMBL493342 0.96 PKM (0.48) PKMPOLBKMT2AMEN1TSHR
SCHEMBL492633 0.94 KMT2A (0.45) PKMKMT2AMEN1TSHRMAPT
SCHEMBL492826 0.93 PKM (0.44) PKMPOLBKMT2AMEN1TSHR
SCHEMBL492924 0.93 PKM (0.47) PKMPOLBKMT2AMEN1L3MBTL1
SCHEMBL493571 0.93 KMT2A (0.46) KMT2AMEN1MAPTATMEPHX2
SCHEMBL492712 0.92 DPP4 (0.44) PKMPOLBKMT2AMEN1TSHR
SCHEMBL492814 0.92 PKM (0.44) PKMPOLBKMT2AMEN1MAPT
SCHEMBL493059 0.92 PKM (0.47) PKMPOLBKMT2AMEN1TSHR
SCHEMBL493121 0.91 PKM (0.49) PKMPOLBKMT2AMEN1TSHR

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 PKM 1161/4885POLB 2120/4885KMT2A 1749/4885

“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.