SCHEMBL492591

SCHEMBL492591

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL492633 0.95 KMT2A (0.45) TDP1ALDH1A1KMT2AMAPTATM
SCHEMBL492712 0.94 DPP4 (0.44) TDP1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL493113 0.92 PKM (0.46) TDP1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL493571 0.90 KMT2A (0.46) ALDH1A1KMT2ALMNAMAPTATM
SCHEMBL492540 0.90 KMT2A (0.48) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL493187 0.89 PKM (0.44) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL493323 0.89 PKM (0.46) ALDH1A1KMT2AMAPTATMMEN1
SCHEMBL493033 0.89 ALDH1A1 (0.41) TDP1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL493833 0.88 KMT2A (0.43) CYP2C19ALDH1A1KMT2ALMNAMAPT
SCHEMBL493064 0.88 RAB9A (0.39) TDP1ALDH1A1KMT2ALMNAATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 3893/4885CYP2C19 134/4885ALDH1A1 1349/4885

“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.