SCHEMBL493494

SCHEMBL493494

CCN(CCOCC(=O)NC1CCC(C(c2ccc(F)cc2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.36
BDKRB1 P46663 1/20 0.34
AVPR1A P37288 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL492727 0.92 MAPT (0.34) POLBMAPTBDKRB1AVPR1AALDH1A1
SCHEMBL494004 0.92 BDKRB1 (0.40) POLBMAPTBDKRB1ALDH1A1SMN1; SMN2
SCHEMBL493524 0.91 AVPR1A (0.37) POLBMAPTAVPR1AALDH1A1LMNA
SCHEMBL493012 0.90 BDKRB1 (0.34) BDKRB1AVPR1AALDH1A1SMN1; SMN2LMNA
SCHEMBL493133 0.89 BDKRB1 (0.35) BDKRB1AVPR1AALDH1A1
SCHEMBL493658 0.86 MAPT (0.35) POLBMAPTBDKRB1AVPR1AALDH1A1
SCHEMBL492971 0.86 AVPR1A (0.41) MAPTAVPR1AALDH1A1LMNA
SCHEMBL492675 0.84 BDKRB1 (0.41) MAPTBDKRB1AVPR1AALDH1A1SMN1; SMN2
SCHEMBL493437 0.84 AVPR1A (0.38) MAPTAVPR1AALDH1A1PKMLMNA
SCHEMBL493118 0.84 BDKRB1 (0.39) MAPTBDKRB1ALDH1A1SMN1; SMN2PKM

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 POLB 2120/4885MAPT 1653/4885BDKRB1 1622/4885

“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.