SCHEMBL493833

SCHEMBL493833

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 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
SCHEMBL492784 0.95 KMT2A (0.46) KMT2AMAPTATMCYP2C19ALDH1A1
SCHEMBL492616 0.95 DPP4 (0.45) KMT2AMAPTATMCYP2C19ALDH1A1
SCHEMBL492547 0.95 DPP4 (0.45) KMT2AMAPTATMCYP2C19ALDH1A1
SCHEMBL493406 0.93 POLB (0.40) KMT2AMAPTATMCYP2C19ALDH1A1
SCHEMBL494257 0.90 KMT2A (0.42) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL493998 0.90 KMT2A (0.49) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL492609 0.90 ALDH1A1 (0.48) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL492613 0.90 KMT2A (0.49) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL493390 0.90 ALDH1A1 (0.46) KMT2AMAPTATMALDH1A1LMNA
SCHEMBL492707 0.90 KMT2A (0.46) 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 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 1749/4885MAPT 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.