SCHEMBL493403

SCHEMBL493403

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PTGIR P43119 4/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CYP2C19 P33261 1/20 0.38
APP P05067 1/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 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
SCHEMBL493448 0.93 DPP4 (0.43) DPP4KMT2AMEN1CYP2C19ATM
SCHEMBL492946 0.93 DPP4 (0.44) DPP4PTGIRKMT2AMEN1CYP2C19
SCHEMBL493558 0.89 DPP4 (0.44) DPP4KMT2AMEN1CYP2C19APP
SCHEMBL493422 0.88 DPP4 (0.39) DPP4PTGIRKMT2AMEN1CYP2C19
SCHEMBL493661 0.87 KMT2A (0.49) PTGIRKMT2AMEN1ATMALDH1A1
SCHEMBL492483 0.87 PTGIR (0.45) DPP4PTGIRKMT2AMEN1CYP2C19
SCHEMBL492749 0.86 ALDH1A1 (0.41) DPP4KMT2AMEN1CYP2C19ATM
SCHEMBL493443 0.86 KMT2A (0.44) DPP4PTGIRKMT2AMEN1ATM
SCHEMBL492733 0.85 DPP4 (0.44) DPP4PTGIRKMT2ACYP2C19ATM
SCHEMBL493252 0.84 KMT2A (0.47) DPP4KMT2AMEN1ATMALDH1A1

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 DPP4 877/4885PTGIR 121/4885KMT2A 1749/4885

“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.