SCHEMBL493640

SCHEMBL493640

CN(CCOCC(=O)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
NAPEPLD Q6IQ20 13/20 0.38
BDKRB1 P46663 1/20 0.37
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL493541 0.94 NAPEPLD (0.38) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL493292 0.94 BDKRB1 (0.38) ALDH1A1NAPEPLDBDKRB1FAAHBCHE
SCHEMBL493395 0.92 NAPEPLD (0.37) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL492761 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL493473 0.89 NAPEPLD (0.37) ALDH1A1MEN1KMT2ANPSR1NAPEPLD
SCHEMBL493493 0.88 FAAH (0.36) ALDH1A1NAPEPLDBDKRB1FAAHBCHE
SCHEMBL494433 0.88 BDKRB1 (0.47) BDKRB1
SCHEMBL493578 0.87 NAPEPLD (0.37) ALDH1A1MEN1KMT2ANPSR1NAPEPLD
SCHEMBL493317 0.85 BDKRB1 (0.40) ALDH1A1MEN1KMT2AHTTNAPEPLD
SCHEMBL493387 0.85 GRM5 (0.36) NAPEPLDBDKRB1FAAHBCHEACHE

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 1349/4885MEN1 4132/4885KMT2A 1749/4885

“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.