SCHEMBL5032074

SCHEMBL5032074

O=C(Nc1ccc2c(c1)OCC(CO)N2)c1ccc(C#CC2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
PTGES O14684 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34
PAX8 Q06710 2/20 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
SCHEMBL5245838 1.00 BACE1 (0.40) BACE1BACE2NPC1RAB9ATP53
SCHEMBL5284179 1.00 BACE1 (0.40) BACE1BACE2NPC1RAB9ATP53
SCHEMBL5246826 0.97 PAX8 (0.37) BACE1BACE2NPC1RAB9ATP53
SCHEMBL13544137 0.90 BACE1 (0.39) BACE1BACE2NPC1RAB9ATP53
SCHEMBL13544158 0.90 NPC1 (0.40) BACE1BACE2NPC1RAB9AKMT2A
SCHEMBL5033047 0.90 NPC1 (0.40) BACE1BACE2NPC1RAB9ATP53
SCHEMBL13544140 0.87 RIPK1 (0.37) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5125719 0.87 RIPK1 (0.37) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5298711 0.87 RIPK1 (0.37) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5037380 0.86 NPC1 (0.39) BACE1BACE2NPC1RAB9ATP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 BACE1 1887/4885BACE2 1981/4885NPC1 879/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 BACE1 1807/4885BACE2 1745/4885NPC1 959/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 BACE1 1807/4885BACE2 1745/4885NPC1 959/4885

“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.