SCHEMBL9715915

SCHEMBL9715915

CC(=O)C1CC(C)(C)N(O)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 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
SCHEMBL697858 0.83 GAA (0.50) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL4397787 0.83 GAA (0.50) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13225976 0.83 GAA (0.50) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13225973 0.81 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL8599636 0.81 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13225974 0.81 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL1933219 0.81 GAA (0.48) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL1231230 0.79 GAA (0.47) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL9754770 0.78 GAA (0.31) GAAL3MBTL1
SCHEMBL22315110 0.78 GAA (0.45) GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 WO disclosed
US-20180221514-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-09 US disclosed
US-9943613-B2 DAB-4 linked nitroxide citrate, useful as MRI contrast agent NITROSCI PHARMACEUTICAL, INC. 2018-04-17 US disclosed
WO-2017031239-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-23 WO disclosed
US-20150273087-A1 DAB-4 LINKED NITROXIDE CITRATE, USEFUL AS MRI CONTRAST AGENT NITROSCI PHARMACEUTICAL, INC. 2015-10-01 US disclosed
US-20150273087-A1 DAB-4 LINKED NITROXIDE CITRATE, USEFUL AS MRI CONTRAST AGENT NITROSCI PHARMACEUTICAL, INC. 2015-10-01 US disclosed
US-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-14 US disclosed
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 US disclosed
US-5104641-A Injecting into blood or joints M.R.I., INC. (US) 1992-04-14 US disclosed
WO-1991013351-A1 METHOD FOR ENHANCING NUCLEAR MAGNETIC RESONANCE IMAGING USING A NITROXIDE M.R.I., INC. (US) 1991-09-05 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 (4 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT GAA 1353/4885L3MBTL1 4820/4885KDM4E 556/4885
US-20150273087-A1 DAB-4 LINKED NITROXIDE CITRATE, USEFUL AS MRI CONTRAST AGENT DAB2IP, PDCD4, PADI4 GAA 715/4885L3MBTL1 3098/4885KDM4E 578/4885
US-20180221514-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES APP, APBA1, CRYAB GAA 1049/4885L3MBTL1 3427/4885KDM4E 3581/4885
US-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES APEH, LPO, ALKBH3 GAA 751/4885L3MBTL1 1004/4885KDM4E 996/4885

“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.