SCHEMBL492696

SCHEMBL492696

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
BDKRB1 P46663 1/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 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
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRL1 P41146 1/20 0.38

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
SCHEMBL493368 0.98 HCRTR1 (0.41) NPC1RAB9AHCRTR1HCRTR2CYP1A2
SCHEMBL492935 0.93 NPC1 (0.46) NPC1BDKRB1RAB9ALMNATSHR
SCHEMBL493035 0.92 FKBP1A (0.42) LMNATSHRNPSR1HCRTR1HCRTR2
SCHEMBL492818 0.92 NPC1 (0.49) NPC1BDKRB1RAB9ALMNATSHR
SCHEMBL493720 0.91 RAB9A (0.46) NPC1RAB9AMMP1MMP3MMP7
SCHEMBL493111 0.91 MEN1 (0.39) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493183 0.90 NPC1 (0.44) NPC1BDKRB1RAB9ALMNATSHR
SCHEMBL493108 0.90 GAA (0.42) BDKRB1LMNATSHRHCRTR1HCRTR2
SCHEMBL493112 0.89 NPC1 (0.46) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL494150 0.89 NPC1 (0.48) NPC1BDKRB1RAB9ALMNATSHR

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 10 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-2240454-A1 MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2010-10-20 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
WO-2009099929-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-13 WO 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 519/4885BDKRB1 1622/4885RAB9A 2004/4885

“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.