SCHEMBL8515417

SCHEMBL8515417

CC(C)(C)OC(=O)CN1CCN(CCCCCC(=O)O)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 6/20 0.37
SIGMAR1 Q99720 3/20 0.37
CACNA1H O95180 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35

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
Bromide SCHEMBL5133205 0.96 CYP1A2 (0.42) PAOXCYP1A2MAPK1SMN1; SMN2DRD2
SCHEMBL16656264 0.93 PAOX (0.44) PAOXCYP1A2MAPK1SMN1; SMN2DRD2
Bromide SCHEMBL5132382 0.91 CYP1A2 (0.47) PAOXCYP1A2MAPK1SMN1; SMN2DRD2
SCHEMBL16656254 0.89 CYP1A2 (0.45) PAOXCYP1A2MAPK1SMN1; SMN2DRD2
SCHEMBL15938241 0.88 GLA (0.43) CYP1A2MAPK1SMN1; SMN2DRD2SIGMAR1
SCHEMBL20678135 0.88 GLA (0.43) CYP1A2MAPK1SMN1; SMN2DRD2SIGMAR1
SCHEMBL18379336 0.83 GNAI3 (0.42) PAOXDRD2HTR1ALMNA
Bromide SCHEMBL5133207 0.83 PAOX (0.39) PAOXDRD2SIGMAR1CACNA1HHTR1A
SCHEMBL6014048 0.82 ADRA1A (0.42) SMN1; SMN2SIGMAR1CACNA1HLMNA
SCHEMBL25575666 0.82 ADRA1A (0.42) SMN1; SMN2SIGMAR1CACNA1HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242691-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING Immunomedics, Inc. (US) 2017-11-15 EP disclosed
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
EP-3218015-A2 METHODS AND COMPOSITIONS FOR IMPROVED LABELING OF TARGETING PEPTIDES Immunomedics, Inc. (US) 2017-09-20 EP disclosed
US-20170007727-A1 METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES IMMUNOMEDICS, INC. 2017-01-12 US disclosed
WO-2016111797-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. (US) 2016-07-14 WO disclosed
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. 2016-07-14 US disclosed
WO-2016077061-A2 METHODS AND COMPOSITIONS FOR IMPROVED LABELING OF TARGETING PEPTIDES IMMUNOMEDICS, INC. (US) 2016-05-19 WO disclosed
US-20160045626-A1 Methods and Compositions for Improved Labeling of Targeting Peptides IMMUNOMEDICS, INC. 2016-02-18 US disclosed
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2015-10-29 US disclosed
US-9115172-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-08-25 US disclosed
US-8889100-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-11-18 US disclosed
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-08-14 US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US disclosed
US-8709382-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-04-29 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-20130315821-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2013-11-28 US disclosed
EP-2651411-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES Immunomedics, Inc. (US) 2013-10-23 EP disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
WO-2012082618-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2012-06-21 WO disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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 (9 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-20130315821-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PAOX 3991/4885CYP1A2 4873/4885MAPK1 4605/4885
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING BRS3, BRCA1, MRE11 PAOX 3920/4885CYP1A2 4315/4885MAPK1 4191/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS PAOX 3766/4885CYP1A2 4880/4885MAPK1 4667/4885
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PAOX 3991/4885CYP1A2 4873/4885MAPK1 4605/4885
US-20170007727-A1 METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES BSG, HBG1, HBG2 PAOX 2861/4885CYP1A2 4302/4885MAPK1 3763/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS PAOX 3766/4885CYP1A2 4880/4885MAPK1 4667/4885
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PAOX 3991/4885CYP1A2 4873/4885MAPK1 4605/4885
US-20160045626-A1 Methods and Compositions for Improved Labeling of Targeting Peptides SSTR5, SSTR4, SSTR2 PAOX 3173/4885CYP1A2 4552/4885MAPK1 2586/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PAOX 3991/4885CYP1A2 4873/4885MAPK1 4605/4885

“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.