SCHEMBL7412943

SCHEMBL7412943

CC(=O)OC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MGLL Q99685 2/20 0.44
MAPK1 P28482 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL18452191 0.87 GAA (0.50) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL7673294 0.86 GAA (0.49) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL1461897 0.84 ELANE (0.60) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL8917129 0.82 ALDH1A1 (0.49) GAABCL9CTNNB1ALDH1A1MAPT
SCHEMBL2721445 0.82 GAA (0.54) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL5735581 0.81 HTR2A (0.48) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL763093 0.81 BCL9 (0.54) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL5487025 0.79 GAA (0.51) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL6359040 0.79 BCL9 (0.56) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL6348996 0.79 BCL9 (0.56) GAABCL9CTNNB1HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
EP-0950057-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS Abbott Laboratories (US) 1999-10-20 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 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 (1 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 GAA 3900/4885BCL9 3771/4885CTNNB1 1598/4885

“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.