SCHEMBL493154

SCHEMBL493154

CCOC(=O)C(=O)N(C)C1CCC(C(CCc2ccccc2)N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CCR5 P51681 1/20 0.38
ACE P12821 6/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL493155 0.80 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL1326606 0.78 ALOX5 (0.43) SMN1; SMN2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL1326680 0.77 MAPT (0.41) SMN1; SMN2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL1326681 0.77 MAPT (0.41) SMN1; SMN2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL4221595 0.76 ESR2 (0.46) SMN1; SMN2L3MBTL1ACELMNAMEN1
SCHEMBL1327655 0.74 SLC18A3 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1327350 0.74 KMT2A (0.47) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19206479 0.74 MAPT (0.39) LMNAMEN1KMT2AALOX15ALDH1A1
SCHEMBL1327183 0.72 CHRNB2 (0.39) SMN1; SMN2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL1328400 0.72 KMT2A (0.38) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 1729/4885L3MBTL1 4753/4885CHRNB2 4376/4885

“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.