SCHEMBL2458779

SCHEMBL2458779

O=C1COC(=O)N1CCCCOc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
HRH3 Q9Y5N1 7/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNA3 P22001 1/20 0.49
HTR1B P28222 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL7845753 0.78 NPC1 (0.40) HTR2AHTR1BKDM4E
SCHEMBL10525691 0.76 HRH3 (0.58) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL9770352 0.74 KCNA3 (0.81) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL7845952 0.74 SSTR4 (0.36) HTR2AMEN1KMT2AHTR1BKDM4E
SCHEMBL2409679 0.73 HTR1A (0.40) HRH3HTR2AHTR7MEN1KMT2A
SCHEMBL16902854 0.72 KCNA3 (0.79) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL16902840 0.72 KCNA3 (0.79) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL16902849 0.72 KCNA3 (0.79) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL16902852 0.72 KCNA3 (0.79) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL16902855 0.72 KCNA3 (0.79) TDP1HRH3HTR2AHTR7HTR6

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-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

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 TDP1 2233/4885HRH3 1335/4885HTR2A 4514/4885
US-20100120845-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 TDP1 2233/4885HRH3 1335/4885HTR2A 4514/4885
US-20080312262-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 TDP1 2233/4885HRH3 1335/4885HTR2A 4514/4885

“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.