SCHEMBL694568

SCHEMBL694568

Brc1cccc(COc2cc[c]cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
PDE5A O76074 5/20 0.37
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL1712277 0.81 KCNH2 (0.50) KCNH2LMNAMRGPRX4CYSLTR1CYSLTR2
SCHEMBL864107 0.80 KCNH2 (0.53) KCNH2LMNAMRGPRX4CYSLTR1CYSLTR2
SCHEMBL864563 0.80 KCNH2 (0.53) KCNH2LMNAMRGPRX4CYSLTR1CYSLTR2
SCHEMBL1711764 0.80 KCNH2 (0.53) KCNH2LMNAMRGPRX4CYSLTR1CYSLTR2
SCHEMBL863712 0.78 KCNH2 (0.50) KCNH2LMNAMRGPRX4CYSLTR1CYSLTR2
SCHEMBL9657369 0.76 MRGPRX4 (0.56) KCNH2LMNAMRGPRX4PDE5AKDM4E
SCHEMBL864159 0.74 KDM4E (0.58) KCNH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL693506 0.72 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7208861 0.71 KCNH2 (0.42) KCNH2LMNACYSLTR1CYSLTR2KDM4E
SCHEMBL128886 0.71 HTR7 (0.40) KCNH2LMNAKDM4ESMN1; SMN2RAB9A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
CN-102548982-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN claimed
CN-102459230-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (4 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KCNH2 894/4885LMNA 2009/4885MRGPRX4 330/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KCNH2 894/4885LMNA 2009/4885MRGPRX4 330/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KCNH2 894/4885LMNA 2009/4885MRGPRX4 330/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE KCNH2 672/4885LMNA 510/4885MRGPRX4 1885/4885

“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.