SCHEMBL2247114

SCHEMBL2247114

COC(=O)CNC(=O)OC(=O)NCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.56
RECQL P46063 1/20 0.54
TSHR P16473 5/20 0.46
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
EPHX2 P34913 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9632175 0.86 TET2 (0.58) TET2RECQLTSHRHSD17B10ALDH1A1
SCHEMBL11184401 0.78 ALDH1A1 (0.56) TET2RECQLTSHRHSD17B10ALDH1A1
SCHEMBL523837 0.78 CA2 (0.59) TET2RECQLTSHRHSD17B10ALDH1A1
SCHEMBL9853078 0.77 RECQL (0.64) TET2RECQLTSHRHSD17B10GAA
SCHEMBL18183362 0.77 TET2 (0.54) TET2RECQLTSHRHSD17B10ALDH1A1
SCHEMBL468803 0.76
SCHEMBL10555722 0.76
SCHEMBL14440166 0.75 TET2 (0.47) TET2RECQLTSHRHSD17B10ALDH1A1
SCHEMBL24376281 0.74
SCHEMBL7826416 0.74

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
EP-2170897-B1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS UNIV BROCK (CA) 2013-08-21 EP claimed
US-7999104-B2 Methods for one-pot N-demethylation/N-acylation of morphine and tropane alkaloids BROCK UNIVERSITY (CA) 2011-08-16 US claimed
EP-2170897-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS Brock University (CA) 2010-04-07 EP claimed
WO-2009003270-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY (CA) 2009-01-08 WO claimed
US-20090005565-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY 2009-01-01 US claimed
US-9340550-B2 Methods for one-pot N-demethylation/N-functionalization of morphine and tropane alkaloids BROCK UNIVERSITY (CA) 2016-05-17 US disclosed
US-20150152120-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-FUNCTIONALIZATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY (CA) 2015-06-04 US disclosed
US-8962841-B2 Methods for one-pot N-demethylation/N-functionalization of morphine and tropane alkaloids BROCK UNIVERSITY (CA) 2015-02-24 US disclosed
EP-2170897-B1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS UNIV BROCK (CA) 2013-08-21 EP disclosed
US-20110313163-A1 Methods for One-Pot N-Demethylation/N-Functionalization of Morphine and Tropane Alkaloids BROCK UNIVERSITY (CA) 2011-12-22 US disclosed
US-7999104-B2 Methods for one-pot N-demethylation/N-acylation of morphine and tropane alkaloids BROCK UNIVERSITY (CA) 2011-08-16 US disclosed
EP-2170897-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS Brock University (CA) 2010-04-07 EP disclosed
WO-2009003270-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY (CA) 2009-01-08 WO disclosed
US-20090005565-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS BROCK UNIVERSITY 2009-01-01 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 (3 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-20150152120-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-FUNCTIONALIZATION OF MORPHINE AND TROPANE ALKALOIDS PNMT, HNMT, OPRM1 TET2 18/4885RECQL 4510/4885TSHR 1845/4885
US-20110313163-A1 Methods for One-Pot N-Demethylation/N-Functionalization of Morphine and Tropane Alkaloids PNMT, HNMT, OPRM1 TET2 18/4885RECQL 4510/4885TSHR 1845/4885
US-20090005565-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-ACYLATION OF MORPHINE AND TROPANE ALKALOIDS HNMT, PNMT, NNMT TET2 26/4885RECQL 4706/4885TSHR 2166/4885

“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.