SCHEMBL493155

SCHEMBL493155

CCOC(=O)C(=O)NCC1CCC(C(CCc2ccccc2)N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NAPEPLD Q6IQ20 5/20 0.39
CXCR3 P49682 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ACE P12821 3/20 0.38
LMNA P02545 2/20 0.38
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
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
SCHEMBL1326606 0.80 ALOX5 (0.43) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL493154 0.80 SMN1; SMN2 (0.45) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL493639 0.79 MAPT (0.44) L3MBTL1NAPEPLDLMNAMEN1KMT2A
SCHEMBL4221595 0.76 ESR2 (0.46) SMN1; SMN2L3MBTL1ACELMNAMEN1
SCHEMBL2305554 0.76 MAPT (0.38) NAPEPLDMAPT
SCHEMBL1326680 0.75 MAPT (0.41) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1326681 0.75 MAPT (0.41) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1327183 0.75 CHRNB2 (0.39) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1328400 0.74 KMT2A (0.38) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19206480 0.73 EGLN1 (0.53) SMN1; SMN2MEN1KMT2AALOX15MAPT

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 1729/4885CHRNB2 4376/4885CHRNB4 4413/4885

“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.