SCHEMBL492776

SCHEMBL492776

CN(C)C(c1cccs1)C1CCC(CNC(=O)COCC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGIR P43119 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
DPP4 P27487 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
SCHEMBL492749 0.93 ALDH1A1 (0.41) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL492483 0.89 PTGIR (0.45) ALDH1A1LMNAKMT2AMEN1PTGIR
SCHEMBL492946 0.86 DPP4 (0.44) ALDH1A1LMNAKMT2AMEN1PTGIR
SCHEMBL492733 0.86 DPP4 (0.44) ALDH1A1LMNAKMT2APTGIRCYP2C19
SCHEMBL492425 0.86 ALDH1A1 (0.43) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL492297 0.84 PTGIR (0.42) ALDH1A1PKMLMNAKMT2APTGIR
SCHEMBL492789 0.84 ALDH1A1 (0.46) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL492954 0.83 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMEN1PTGIR
SCHEMBL492610 0.82 ALDH1A1 (0.47) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL493450 0.82 ALDH1A1 (0.40) ALDH1A1PKMLMNAKMT2AMEN1

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 ALDH1A1 1349/4885PKM 1161/4885LMNA 2485/4885

“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.