SCHEMBL493843

SCHEMBL493843

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.42
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
KCNQ1 P51787 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL492718 0.94 NPC1 (0.47) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL493026 0.93 NPC1 (0.52) NPC1RAB9APAX8KCNQ1MMP1
SCHEMBL492781 0.93 PSEN1 (0.42) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL492986 0.93 RAB9A (0.49) NPC1RAB9APAX8MMP1MMP3
SCHEMBL492481 0.92 RAB9A (0.44) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL493410 0.88 NPC1 (0.47) NPC1RAB9APAX8HCRTR1HCRTR2
SCHEMBL493191 0.88 NPC1 (0.46) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL492881 0.87 NPC1 (0.55) NPC1RAB9APAX8KCNQ1MMP1
SCHEMBL493123 0.87 NPC1 (0.43) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL492698 0.86 ALDH1A1 (0.47) NPC1RAB9APAX8MMP1MMP3

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 8 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
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 NPC1 519/4885PSEN1 3663/4885PSEN2 2905/4885

“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.