SCHEMBL493558

SCHEMBL493558

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
APP P05067 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 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
SCHEMBL493443 0.95 KMT2A (0.44) DPP4KMT2AMEN1ALDH1A1LMNA
SCHEMBL493510 0.93 DPP4 (0.44) DPP4KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL492547 0.93 DPP4 (0.45) DPP4KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL493252 0.91 KMT2A (0.47) DPP4KMT2AMEN1ALDH1A1LMNA
SCHEMBL493403 0.89 DPP4 (0.43) DPP4KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL493124 0.89 MEN1 (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL493352 0.88 KMT2A (0.41) KMT2AMEN1CYP2C19ALDH1A1LMNA
SCHEMBL492813 0.88 KMT2A (0.41) KMT2AMEN1CYP2C19ALDH1A1LMNA
SCHEMBL492619 0.88 ALDH1A1 (0.41) DPP4KMT2AMEN1ALDH1A1ATM
SCHEMBL492707 0.88 KMT2A (0.46) DPP4KMT2AMEN1ALDH1A1LMNA

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 DPP4 877/4885KMT2A 1749/4885MEN1 4132/4885

“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.