SCHEMBL2777832

SCHEMBL2777832

CCN(CC)C(=O)OC(=O)N(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 5/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR3 O14843 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ABCB11 O95342 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
SCHEMBL11141256 0.86 MEN1 (0.46) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL2777834 0.84 MEN1 (0.45) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL19003453 0.82 HSD17B10 (0.46) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL514695 0.79
SCHEMBL514694 0.77
SCHEMBL17040541 0.77
SCHEMBL8985020 0.77
SCHEMBL28870303 0.77
SCHEMBL16965411 0.77 MEN1 (0.48) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL758863 0.77 KMT2A (0.48) MEN1KMT2ALMNAMMP1MMP2

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 12 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
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
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 CN disclosed
CN-108026032-A The manufacture method of optical activity 4- carbamoyl -2,6- 3,5-dimethylphenyl alanine derivatives 株式会社钟化 2018-05-11 CN disclosed
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
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

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-20150152120-A1 METHODS FOR ONE-POT N-DEMETHYLATION/N-FUNCTIONALIZATION OF MORPHINE AND TROPANE ALKALOIDS PNMT, HNMT, OPRM1 MEN1 2109/4885KMT2A 223/4885LMNA 3968/4885
US-20110313163-A1 Methods for One-Pot N-Demethylation/N-Functionalization of Morphine and Tropane Alkaloids PNMT, HNMT, OPRM1 MEN1 2109/4885KMT2A 223/4885LMNA 3968/4885

“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.