SCHEMBL4488231

SCHEMBL4488231

CCOC(=O)c1ccc(C#CC(C)(C)C)c(OCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.44
PIK3CA P42336 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
POLB P06746 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4490687 0.88 KDM4E (0.48) SMN1; SMN2GAAMEN1KMT2AKDM4E
SCHEMBL13763495 0.83 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1GAAATMMEN1
SCHEMBL4499755 0.81 HSD17B2 (0.48) SMN1; SMN2HSD17B10ALDH1A1ESR1ESR2
SCHEMBL4495057 0.81 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1GAAATMMEN1
SCHEMBL5562205 0.79 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1GAAATMMEN1
SCHEMBL13757147 0.77 HSD17B2 (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3531517 0.76 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL13503073 0.76 EPHX2 (0.58) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL6447779 0.76 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL4441360 0.76 SMN1; SMN2 (0.73) SMN1; SMN2GAAATMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed
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 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 SMN1; SMN2 2392/4885L3MBTL1 3894/4885GAA 3448/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 SMN1; SMN2 2392/4885L3MBTL1 3894/4885GAA 3448/4885

“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.