SCHEMBL2458095

SCHEMBL2458095

Brc1ccc(OCCC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
NFE2L2 Q16236 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CHEK2 O96017 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KDM1A O60341 1/20 0.44
EP300 Q09472 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 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
SCHEMBL11138975 0.90 SLC6A4 (0.45) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL1697752 0.88 NFE2L2 (0.56) NFE2L2TDP1KDM4ERECQL
SCHEMBL4326032 0.83 NPY1R (0.50) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL13144645 0.83 TDP1 (0.51) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL4329812 0.83 ITGB3 (0.49) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL13335378 0.83 ITGB3 (0.52) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL15651091 0.83 NFE2L2 (0.71) ITGB3ITGA2BNFE2L2TDP1CHEK2
SCHEMBL23163613 0.83 NFE2L2 (0.70) NFE2L2TDP1KDM4ERECQL
SCHEMBL2460394 0.83 TDP1 (0.68) ITGB3ITGA2BTDP1KDM1AEP300
SCHEMBL1334281 0.83 ITGB3 (0.51) ITGB3ITGA2BNFE2L2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026258-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-09-27 US disclosed
US-20100120845-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-05-13 US disclosed
US-7674805-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-03-09 US disclosed
US-20080312262-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-12-18 US disclosed
US-7439257-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2008-10-21 US disclosed
EP-1708994-B1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-08-08 EP disclosed
US-20070021424-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1708994-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-10-11 EP disclosed
WO-2005077898-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-08-25 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 (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-20070021424-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 ITGB3 1452/4885ITGA2B 670/4885NFE2L2 2661/4885
US-20100120845-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 ITGB3 1452/4885ITGA2B 670/4885NFE2L2 2661/4885
US-20080312262-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 ITGB3 1452/4885ITGA2B 670/4885NFE2L2 2661/4885

“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.