SCHEMBL493432

SCHEMBL493432

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
PTGIR P43119 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
SLC9A3 P48764 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BDKRB1 P46663 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL492990 0.97 UTS2R (0.36) ALDH1A1LMNAPTGIRSMN1; SMN2SLC9A3
SCHEMBL493053 0.96 KMT2A (0.37) ALDH1A1LMNAPTGIRSMN1; SMN2HTT
SCHEMBL493206 0.96 KMT2A (0.37) ALDH1A1LMNAPTGIRSMN1; SMN2HTT
SCHEMBL493385 0.95 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2SLC9A3MCOLN3
SCHEMBL493855 0.93 BDKRB1 (0.41) ALDH1A1LMNASMN1; SMN2SLC9A3MCOLN3
SCHEMBL493849 0.92 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL493345 0.92 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2HTTBDKRB1
SCHEMBL493519 0.91 LMNA (0.40) ALDH1A1LMNAPTGIRSMN1; SMN2HTT
SCHEMBL493366 0.90 BDKRB1 (0.38) ALDH1A1LMNAPTGIRSLC9A3BDKRB1
SCHEMBL493893 0.90 BDKRB1 (0.39) ALDH1A1LMNAPTGIRSLC9A3PKM

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 1349/4885LMNA 2485/4885PTGIR 121/4885

“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.