SCHEMBL492733

SCHEMBL492733

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
PTGIR P43119 4/20 0.42
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL492483 0.95 PTGIR (0.45) DPP4ALDH1A1CYP2C19PTGIRLMNA
SCHEMBL493448 0.93 DPP4 (0.43) DPP4ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL492946 0.93 DPP4 (0.44) DPP4ALDH1A1CYP2C19PTGIRLMNA
SCHEMBL492297 0.92 PTGIR (0.42) DPP4ALDH1A1CYP2C19CYP3A4PTGIR
SCHEMBL493713 0.90 CYP2C19 (0.44) DPP4ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL492616 0.89 DPP4 (0.45) DPP4ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL492776 0.86 ALDH1A1 (0.42) DPP4ALDH1A1CYP2C19PTGIRLMNA
SCHEMBL493227 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTATML3MBTL1
SCHEMBL492609 0.85 ALDH1A1 (0.48) DPP4ALDH1A1LMNAKDM4ETSHR
SCHEMBL493403 0.85 DPP4 (0.43) DPP4ALDH1A1CYP2C19PTGIRLMNA

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 877/4885ALDH1A1 1349/4885CYP2C19 134/4885

“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.