SCHEMBL493186

SCHEMBL493186

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.45
PSEN2 P49810 5/20 0.45
APH1B Q8WW43 5/20 0.45
NCSTN Q92542 5/20 0.45
APH1A Q96BI3 5/20 0.45
PSENEN Q9NZ42 5/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR4 P51679 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FKBP1A P62942 1/20 0.39
PAX8 Q06710 1/20 0.39
BDKRB1 P46663 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL493720 0.92 RAB9A (0.46) MEN1KMT2APOLBALDH1A1FKBP1A
SCHEMBL493738 0.89 RAB9A (0.43) MEN1KMT2APOLBGAAPAX8
SCHEMBL492898 0.88 FKBP1A (0.42) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL492665 0.87 HSD11B1 (0.39) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL494049 0.87 MEN1 (0.35) MEN1KMT2ACCR4POLBGAA
SCHEMBL493222 0.84 SMN1; SMN2 (0.44) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL492515 0.84 RAB9A (0.49) MEN1KMT2APOLBALDH1A1FKBP1A
SCHEMBL492818 0.84 NPC1 (0.49) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL493108 0.84 GAA (0.42) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL492696 0.83 NPC1 (0.44) KMT2APOLBALDH1A1BDKRB1

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 PSEN1 3663/4885PSEN2 2905/4885APH1B 1166/4885

“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.