SCHEMBL493390

SCHEMBL493390

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
TGM2 P21980 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37
TRPA1 O75762 1/20 0.37
LSS P48449 1/20 0.37

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
SCHEMBL492609 0.97 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL493451 0.96 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL492784 0.94 KMT2A (0.46) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL492510 0.93 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL492469 0.93 KMT2A (0.43) ALDH1A1KMT2AMEN1PKMTSHR
SCHEMBL494257 0.93 KMT2A (0.42) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL492911 0.92 KMT2A (0.42) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL492470 0.92 KMT2A (0.42) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL492616 0.92 DPP4 (0.45) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL492613 0.92 KMT2A (0.49) ALDH1A1KMT2AMAPTATMMEN1

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 ALDH1A1 1349/4885KMT2A 1749/4885MAPT 1653/4885

“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.