SCHEMBL493176

SCHEMBL493176

CN(C)C(c1cccs1)C1CCC(CCNC(=O)COC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 5/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LSS P48449 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL493136 0.94 ALDH1A1 (0.43) ALDH1A1PKMLMNATSHRHTT
SCHEMBL493171 0.93 ALDH1A1 (0.43) ALDH1A1PKMLMNATSHRHTT
SCHEMBL493036 0.93 ALDH1A1 (0.44) ALDH1A1PKMLMNATSHRHTT
SCHEMBL493450 0.89 ALDH1A1 (0.40) ALDH1A1PKMLMNATSHRHTT
SCHEMBL492829 0.89 ALDH1A1 (0.45) ALDH1A1PKMLMNAHTTSMN1; SMN2
SCHEMBL492890 0.89 HDAC3 (0.44) ALDH1A1PKMLMNATSHRKMT2A
SCHEMBL493876 0.89 KMT2A (0.44) PKMTSHRKMT2AMEN1MAPT
SCHEMBL492780 0.88 GAA (0.41) ALDH1A1PKMKMT2AGAAMAPT
SCHEMBL492692 0.88 PKM (0.43) ALDH1A1PKMLMNATSHRHTT
SCHEMBL492619 0.87 ALDH1A1 (0.41) ALDH1A1PKMTSHRKMT2AMEN1

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 ALDH1A1 1349/4885PKM 1161/4885LMNA 2485/4885

“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.