SCHEMBL493713

SCHEMBL493713

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
DPP4 P27487 1/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL493304 0.92 PKM (0.44) CYP2C19CYP3A4DPP4KMT2APKM
SCHEMBL492733 0.90 DPP4 (0.44) CYP2C19CYP3A4DPP4KMT2ALMNA
SCHEMBL493448 0.89 DPP4 (0.43) CYP2C19CYP3A4DPP4KMT2ALMNA
SCHEMBL492712 0.88 DPP4 (0.44) CYP2C19CYP3A4DPP4KMT2APKM
SCHEMBL493187 0.84 PKM (0.44) DPP4KMT2APKMTSHRMAPT
SCHEMBL492483 0.84 PTGIR (0.45) CYP2C19DPP4KMT2ALMNAHSD17B10
SCHEMBL493528 0.83 PKM (0.51) KMT2APKMLMNATSHRHSD17B10
SCHEMBL492946 0.83 DPP4 (0.44) CYP2C19DPP4KMT2ALMNAHSD17B10
SCHEMBL493059 0.83 PKM (0.47) KMT2APKMTSHRMAPTPOLB
SCHEMBL492297 0.82 PTGIR (0.42) CYP2C19CYP3A4DPP4KMT2APKM

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 CYP2C19 134/4885CYP3A4 465/4885DPP4 877/4885

“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.