SCHEMBL492967

SCHEMBL492967

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.42
MEN1 O00255 8/20 0.42
PKM P14618 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 1/20 0.37
OPRL1 P41146 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL492826 0.95 PKM (0.44) KMT2AMEN1PKMTSHRMAPT
SCHEMBL493569 0.93 PKM (0.42) KMT2AMEN1PKMTSHRMAPT
SCHEMBL493121 0.93 PKM (0.49) KMT2AMEN1PKMTSHRMAPT
SCHEMBL492814 0.91 PKM (0.44) KMT2AMEN1PKMMAPTLMNA
SCHEMBL493009 0.91 EPHX2 (0.40) KMT2AMEN1PKMTSHRMAPT
SCHEMBL492941 0.90 KMT2A (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL493142 0.89 EPHX2 (0.43) KMT2AMEN1PKMTSHRLMNA
SCHEMBL493113 0.89 PKM (0.46) KMT2AMEN1PKMTSHRMAPT
SCHEMBL492846 0.89 PKM (0.52) KMT2AMEN1PKMTSHRMAPT
SCHEMBL493433 0.89 KMT2A (0.41) KMT2AMEN1MAPTLMNAHTT

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 1749/4885MEN1 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.