SCHEMBL2244583

SCHEMBL2244583

CC(C)(C)N1CC(CO)([N+](=O)[O-])C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
APEX1 P27695 1/20 0.30

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
Hydrochloric Acid SCHEMBL3737938 0.98 CRHBP (0.52) CRHBPCRHR2
SCHEMBL4443823 0.74 APEX1 (0.38) APEX1
SCHEMBL1994684 0.73 CRHBP (0.63) CRHBPCRHR2
Nitric Acid SCHEMBL8647053 0.72 CRHBP (0.57) CRHBPCRHR2
SCHEMBL4817167 0.70 APEX1 (0.32) APEX1
Methylamine SCHEMBL11565513 0.70 ALDH1A1 (0.31)
SCHEMBL23858254 0.69 CYP2D6 (0.31)
SCHEMBL4851929 0.69 APEX1 (0.44) APEX1
SCHEMBL4583356 0.68 CRHBP (0.47) CRHBPCRHR2
SCHEMBL18015997 0.68 CRHBP (0.35) CRHBPCRHR2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471041-B2 Methods of synthesizing and isolating N-(bromoacetyl)-3,3-dinitroazetidine and a composition including the same ALLIANT TECHSYSTEMS INC. (US) 2013-06-25 US claimed
US-7713401-B2 Methods for performing electrochemical nitration reactions BATTELLE ENERGY ALLIANCE, LLC (US) 2010-05-11 US claimed
US-20090038953-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS ENERGY, UNITED STATES DEPARTMENT OF 2009-02-12 US claimed
WO-2009020798-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-02-12 WO claimed
US-5336784-A Synthesis of 1,3,3-trinitroazetidine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-08-09 US claimed
US-12281398-B2 Microfluidic process for the general electrochemical synthesis of geminal dipseudohalide or halide-pseudohalide compounds UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2025-04-22 US disclosed
US-20240293360-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME EPICENTRX, INC. 2024-09-05 US disclosed
CN-118561729-A Synthetic method and application of nitro cyclic compound 江南大学 2024-08-30 CN disclosed
US-20240218528-A1 Microfluidic Process for the General Electrochemical Synthesis of Geminal Dipseudohalide or Halide-Pseudohalide Compounds THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2024-07-04 US disclosed
EP-4351567-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME EpicentRx, Inc. (US) 2024-04-17 EP disclosed
CN-117835979-A Crystalline ABDNAZ compositions and methods of making and using the same 埃皮辛特瑞柯斯公司 2024-04-05 CN disclosed
US-11926911-B2 Microfluidic process for the general electrochemical synthesis of geminal dipseudohalide or halide-pseudohalide compounds UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2024-03-12 US disclosed
WO-2011100090-A1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC. (US) 2011-08-18 WO disclosed
US-20110195947-A1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC. (US) 2011-08-11 US disclosed
US-7829729-B2 1-glycidyl-3,3-dinitroazetidine containing explosive moiety and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2010-11-09 US disclosed
US-7713401-B2 Methods for performing electrochemical nitration reactions BATTELLE ENERGY ALLIANCE, LLC (US) 2010-05-11 US disclosed
US-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2009-12-03 US disclosed
US-20090038953-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS ENERGY, UNITED STATES DEPARTMENT OF 2009-02-12 US disclosed
WO-2009020798-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-02-12 WO disclosed
US-5336784-A Synthesis of 1,3,3-trinitroazetidine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-08-09 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-20240293360-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME CRYZ, FASTKD5, DNAJA1 CRHBP 2505/4885CRHR2 3999/4885APEX1 133/4885
US-20090299079-A1 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF DNMT1, DNMT3A, HBZ CRHBP 3060/4885CRHR2 4140/4885APEX1 30/4885

“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.