SCHEMBL492925

SCHEMBL492925

CN1CCN(C(c2ccccc2)C2CCN(C(=O)COCC3CCc4ccccc4N3S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.47
PSEN2 P49810 12/20 0.47
APH1B Q8WW43 12/20 0.47
NCSTN Q92542 12/20 0.47
APH1A Q96BI3 12/20 0.47
PSENEN Q9NZ42 12/20 0.47
APP P05067 4/20 0.47
BDKRB1 P46663 3/20 0.45
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 2/20 0.44

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
SCHEMBL493463 0.95 CACNA2D1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL492930 0.93 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL493709 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL493025 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3405283 0.82 APP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3413288 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4383315 0.81 APP (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4113323 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412098 0.80 APP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL493248 0.80 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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 7 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
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 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.