SCHEMBL864563

SCHEMBL864563

Clc1cccc(COc2cc[c]cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
MRGPRX4 Q96LA9 2/20 0.46
LMNA P02545 1/20 0.43
CYSLTR1 Q9Y271 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
PDE5A O76074 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL4569966 0.84 KCNH2 (0.75) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL694568 0.80 KCNH2 (0.53) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL1711764 0.80 KCNH2 (0.53) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL864107 0.80 KCNH2 (0.53) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL22315216 0.79 KCNH2 (0.66) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL22314699 0.79 MRGPRX4 (0.58) KCNH2MRGPRX4LMNASMN1; SMN2NPC1
SCHEMBL1712277 0.78 KCNH2 (0.50) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL863712 0.78 KCNH2 (0.50) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2
SCHEMBL22315218 0.76 NPC1 (0.49) KCNH2MRGPRX4LMNASMN1; SMN2NPC1
SCHEMBL22315194 0.75 KCNH2 (0.56) KCNH2MRGPRX4LMNACYSLTR1CYSLTR2

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
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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 (2 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KCNH2 669/4885MRGPRX4 2764/4885LMNA 3681/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE KCNH2 672/4885MRGPRX4 1885/4885LMNA 510/4885

“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.