SCHEMBL492855

SCHEMBL492855

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
FKBP1A P62942 1/20 0.34
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
PTGIR P43119 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 1/20 0.33
PTGDR Q13258 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL493234 0.94 LMNA (0.37) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493099 0.93 NPC1 (0.43) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL494150 0.91 NPC1 (0.48) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493111 0.90 MEN1 (0.39) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493106 0.89 NPC1 (0.36) NPC1RAB9ANCOA1NCOA3PTGIR
SCHEMBL492617 0.89 NPC1 (0.46) NPC1RAB9A
SCHEMBL493198 0.89 FKBP1A (0.41) NPC1RAB9ANCOA1NCOA3FKBP1A
SCHEMBL492942 0.87 L3MBTL1 (0.41) NPC1RAB9ANCOA1NCOA3L3MBTL1
SCHEMBL493307 0.86 LMNA (0.42) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493197 0.86 RAB9A (0.39) NPC1RAB9APTGIRACHEAVPR1A

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
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 NPC1 519/4885RAB9A 2004/4885LMNA 2485/4885

“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.