SCHEMBL2941803

SCHEMBL2941803

O=C(COCCCl)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
PKM P14618 1/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50

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
SCHEMBL85230 0.92 MAPT (0.57) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL2941831 0.84 HTT (0.59) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9581284 0.81 MAPT (0.56) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1429699 0.80 MEN1 (0.65) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL853676 0.80 MEN1 (0.65) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL12916012 0.79 MAPT (0.62) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL13216550 0.79 ALDH1A1 (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL2942955 0.79 ALDH1A1 (0.76) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL2681754 0.79 KMT2A (0.44) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL85930 0.79 MAPT (0.49) MAPTALDH1A1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737671-B1 PROCESS FOR THE PREPARATION OF 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE RICHTER GEDEON NYRT (HU) 2021-11-17 EP claimed
EP-3737671-A1 PROCESS FOR THE PREPARATION OF 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE Richter Gedeon Nyrt. (HU) 2020-11-18 EP claimed
EP-3737671-A1 PROCESS FOR THE PREPARATION OF 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE Richter Gedeon Nyrt. (HU) 2020-11-18 EP disclosed
EP-3737671-A1 PROCESS FOR THE PREPARATION OF 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE Richter Gedeon Nyrt. (HU) 2020-11-18 EP disclosed
WO-2019138362-A1 PROCESS FOR THE PREPARATION OF 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE RICHTER GEDEON NYRT. (HU) 2019-07-18 WO disclosed
CN-103804221-A Preparation method of 4-(4-amino phenyl)-3-morpholone and intermediate of 4-(4-amino phenyl)-3-morpholone HUBEI XUNDA PHARMACEUTICAL CO LTD 2014-05-21 CN disclosed
CN-102603665-A Synthesis method of 4-(4-aminophenyl)-3-morpholone BEIJING GUANHONG TECHNOLOGY GROUP CO LTD 2012-07-25 CN disclosed
US-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES DORSCH DIETER 2010-08-19 US disclosed
US-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES DORSCH DIETER 2010-08-19 US disclosed
US-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES DORSCH DIETER 2010-08-19 US disclosed
US-7687624-B2 Process for the production of N-arylmorpholinones MERCK PATENT GMBH (DE) 2010-03-30 US disclosed
US-7687624-B2 Process for the production of N-arylmorpholinones MERCK PATENT GMBH (DE) 2010-03-30 US disclosed
US-7687624-B2 Process for the production of N-arylmorpholinones MERCK PATENT GMBH (DE) 2010-03-30 US disclosed
EP-1654240-B1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GMBH (DE) 2006-11-02 EP disclosed
US-20060217550-A1 One pot process; cyclization; 4-(4-nitrophenyl)-3-oxomorpholine; Factor Xa inhibitors; , myocardial infarction, arteriosclerosis, inflammation, apoplexy, angina pectoris, restenosis after angioplasty and claudicatio intermittens MERCK PATENT GMBH (DE) 2006-09-28 US disclosed
EP-1654240-A1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GmbH (DE) 2006-05-10 EP disclosed
WO-2005016899-A1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GMBH (DE) 2005-02-24 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-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES CYP1A1, CYP1B1, OPRM1 MAPT 1388/4885ALDH1A1 264/4885POLB 4031/4885
US-20060217550-A1 One pot process; cyclization; 4-(4-nitrophenyl)-3-oxomorpholine; Factor Xa inhibitors; , myocardial infarction, arteriosclerosis, inflammation, apoplexy, angina pectoris, restenosis after angioplasty and claudicatio intermittens PLAT, PCSK9, SERPINE1 MAPT 4446/4885ALDH1A1 2931/4885POLB 1334/4885

“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.