SCHEMBL494049

SCHEMBL494049

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCC2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR4 P51679 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 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
SCHEMBL493623 0.90 PTGIR (0.40) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL493186 0.87 PSEN1 (0.45) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493404 0.87 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493321 0.86 CACNA2D1 (0.41) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493417 0.86 MEN1 (0.38) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493532 0.85 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL492665 0.85 HSD11B1 (0.39) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493738 0.84 RAB9A (0.43) MEN1KMT2APOLBGAARAB9A
SCHEMBL492865 0.84 CYP3A4 (0.38) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL493642 0.84 CACNA2D1 (0.41) MEN1KMT2ASMN1; SMN2POLBGAA

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 MEN1 4132/4885KMT2A 1749/4885SMN1; SMN2 1729/4885

“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.