SCHEMBL492946

SCHEMBL492946

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PTGIR P43119 6/20 0.42
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL492483 0.95 PTGIR (0.45) DPP4KMT2AMEN1PTGIRCYP2C19
SCHEMBL493403 0.93 DPP4 (0.43) DPP4KMT2AMEN1PTGIRCYP2C19
SCHEMBL492733 0.93 DPP4 (0.44) DPP4KMT2APTGIRCYP2C19ALDH1A1
SCHEMBL492547 0.89 DPP4 (0.45) DPP4KMT2AMEN1FAAHBCHE
SCHEMBL492297 0.88 PTGIR (0.42) DPP4KMT2APTGIRCYP2C19ALDH1A1
SCHEMBL492776 0.86 ALDH1A1 (0.42) DPP4KMT2AMEN1PTGIRCYP2C19
SCHEMBL493093 0.85 KMT2A (0.49) KMT2AMEN1FAAHBCHEACHE
SCHEMBL492707 0.85 KMT2A (0.46) DPP4KMT2AMEN1FAAHBCHE
SCHEMBL493448 0.85 DPP4 (0.43) DPP4KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL492618 0.84 KMT2A (0.49) KMT2AMEN1FAAHBCHEACHE

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 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.