SCHEMBL345758

SCHEMBL345758

CCOC(=O)c1cc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CA9 Q16790 1/20 0.43
AR P10275 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN11 Q06124 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 6/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2332185 0.86 HTR2A (0.50) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL345203 0.85 HTR2A (0.49) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL344774 0.85 HTR2A (0.49) HTR2AGAARAB9ABCL9CTNNB1
SCHEMBL278663 0.78 BCL9 (0.62) HTR2AGAARAB9ABCL9CTNNB1
SCHEMBL15919278 0.77 HTR2A (0.46) HTR2AGAARAB9ABCL9CTNNB1
SCHEMBL7094532 0.76 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL2477652 0.75 ALDH1A1 (0.56) HTR2AGAASMN1; SMN2MAPTALDH1A1
SCHEMBL18347829 0.75 KCNJ1 (0.58) HTR2AGAARAB9AMAOBBCL9
SCHEMBL1311504 0.73 HTR2A (0.62) HTR2AGAARAB9AMAOBBCL9
SCHEMBL6396644 0.73 HTR2A (0.65) HTR2AGAARAB9AMAOBBCL9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HTR2A 4211/4885GAA 3845/4885RAB9A 331/4885
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR HTR2A 4240/4885GAA 3630/4885RAB9A 302/4885

“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.