SCHEMBL492826

SCHEMBL492826

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 12/20 0.42
MEN1 O00255 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL493569 0.95 PKM (0.42) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493121 0.95 PKM (0.49) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL492967 0.95 KMT2A (0.42) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493323 0.93 PKM (0.46) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493342 0.92 PKM (0.48) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493142 0.91 EPHX2 (0.43) PKMTSHRKMT2AMEN1POLB
SCHEMBL493113 0.91 PKM (0.46) PKMTSHRKMT2AMEN1MAPT
SCHEMBL492846 0.91 PKM (0.52) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493257 0.90 GAA (0.43) PKMTSHRKMT2AMEN1L3MBTL1
SCHEMBL493187 0.90 PKM (0.44) PKMTSHRKMT2AMEN1L3MBTL1

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 PKM 1161/4885TSHR 4051/4885KMT2A 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.