SCHEMBL493068

SCHEMBL493068

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
BLM P54132 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
SCHEMBL492963 0.93 ALDH1A1 (0.47) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL493333 0.93 KMT2A (0.45) KMT2AMAPTATMALDH1A1GAA
SCHEMBL492848 0.92 CCL5 (0.42) KMT2AMAPTATMALDH1A1HPGD
SCHEMBL493528 0.88 PKM (0.51) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL493734 0.86 ALDH1A1 (0.44) KMT2AMAPTATMALDH1A1HPGD
SCHEMBL493227 0.86 ALDH1A1 (0.50) KMT2AMAPTATMALDH1A1GAA
SCHEMBL493101 0.86 ALDH1A1 (0.43) KMT2AMAPTATMALDH1A1SMN1; SMN2
SCHEMBL493661 0.85 KMT2A (0.49) KMT2AMAPTATMALDH1A1GAA
SCHEMBL492931 0.85 CCL5 (0.43) KMT2AMAPTATMALDH1A1PKM
SCHEMBL493448 0.85 DPP4 (0.43) KMT2AMAPTATMALDH1A1LMNA

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 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.