SCHEMBL492935

SCHEMBL492935

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 3/20 0.42
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
BDKRB1 P46663 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNQ1 P51787 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL492696 0.93 NPC1 (0.44) NPC1RAB9AHCRTR1HCRTR2BDKRB1
SCHEMBL493368 0.92 HCRTR1 (0.41) NPC1RAB9AHCRTR1HCRTR2PAX8
SCHEMBL492750 0.92 NPC1 (0.52) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL492515 0.92 RAB9A (0.49) NPC1RAB9AKMT2AMMP1MMP3
SCHEMBL493410 0.91 NPC1 (0.47) NPC1RAB9AHCRTR1HCRTR2LMNA
SCHEMBL492710 0.90 NPC1 (0.49) NPC1RAB9AHCRTR1HCRTR2BDKRB1
SCHEMBL493035 0.85 FKBP1A (0.42) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL492819 0.85 ALDH1A1 (0.47) NPC1RAB9ALMNAKMT2AMMP1
SCHEMBL492818 0.85 NPC1 (0.49) NPC1RAB9ABDKRB1LMNATSHR
SCHEMBL493720 0.84 RAB9A (0.46) NPC1RAB9AKMT2AMMP1MMP3

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 519/4885RAB9A 2004/4885HCRTR1 3364/4885

“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.