SCHEMBL900908

SCHEMBL900908

Nc1ccc([N+]2([O-])CCOCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL79246 0.80 MEN1 (0.38) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL9051047 0.80 CYP1A2 (0.44) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL76934 0.78 MEN1 (0.36) MAPTGAAMEN1KMT2AKDM4E
Dioxane SCHEMBL29124568 0.71 MAPT (0.57) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL7252455 0.71 MAPT (0.46) MAPTGAAKDM4ESMN1; SMN2CYP3A4
SCHEMBL6649783 0.71 ALDH1A1 (0.39) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL15525160 0.71
SCHEMBL18872639 0.71 ALDH1A1 (0.37) MAPTGAAKDM4ECYP3A4TDP1
SCHEMBL15110787 0.70 TNKS (0.41) PIK3CAMTOR
Oxirane SCHEMBL7625198 0.68 MAPT (0.61) MAPTGAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705028-B1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2019-08-21 EP disclosed
US-9556163-B2 Process for the preparation of a rivaroxaban and intermediates formed in said process EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2017-01-31 US disclosed
US-20140142303-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2014-05-22 US disclosed
EP-2705028-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS Egis Gyógyszergyár Nyilvánosan Müködö Részvény-Társaság (HU) 2014-03-12 EP disclosed
WO-2012153155-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGIS GYÓGYSZERGYÁR NYILVÃNOSAN MÜKÖDÖ RÉSZVÉNY-TÁRSASÁG (HU) 2012-11-15 WO disclosed
WO-2012041263-A2 A METHOD OF MANUFACTURING 2-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL)PHENYL]- L,3-OXAZOLIDIN-5-YL}METHYL)-LH-ISOINDOL-L,3(2H)-DIONE WITH A HIGH OPTICAL PURITY FARMAK, A.S. (CZ) 2012-04-05 WO disclosed
US-7847096-B2 4-aminophenylmorpholinone derivatives and their preparation SALTIGO GMBH (DE) 2010-12-07 US disclosed
US-7847096-B2 4-aminophenylmorpholinone derivatives and their preparation SALTIGO GMBH (DE) 2010-12-07 US disclosed
US-7847096-B2 4-aminophenylmorpholinone derivatives and their preparation SALTIGO GMBH (DE) 2010-12-07 US disclosed
US-7504500-B2 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products MERCK PATENT GMBH (DE) 2009-03-17 US disclosed
US-20090018126-A1 4-Aminophenylmorpholinone Derivatives and Their Preparation SALTIGO GMBH (DE) 2009-01-15 US disclosed
US-20090018126-A1 4-Aminophenylmorpholinone Derivatives and Their Preparation SALTIGO GMBH (DE) 2009-01-15 US disclosed
US-20090018126-A1 4-Aminophenylmorpholinone Derivatives and Their Preparation SALTIGO GMBH (DE) 2009-01-15 US disclosed
EP-1608646-B1 METHOD FOR THE PRODUCTION OF PYRROLIDINE-1,2-DICARBOXYLIC ACID-1-(PHENYL(-AMIDE))-2-(PHENYL(-AMIDE)) DERIVATIVES AND 1-(PHENYLCARBAMOYL)-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATE PRODUCTS MERCK PATENT GMBH (DE) 2007-07-11 EP disclosed
EP-1760081-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products Merck Patent GmbH (DE) 2007-03-07 EP disclosed
US-20060211692-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products MERCK PATENT GMBH (DE) 2006-09-21 US disclosed
EP-1608646-A1 METHOD FOR THE PRODUCTION OF PYRROLIDINE-1,2-DICARBOXYLIC ACID-1-(PHENYL(-AMIDE))-2-(PHENYL(-AMIDE)) DERIVATIVES AND 1-(PHENYLCARBAMOYL)-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATE PRODUCTS MERCK PATENT GmbH (DE) 2005-12-28 EP disclosed
WO-2004087695-A1 METHOD FOR THE PRODUCTION OF PYRROLIDINE-1,2-DICARBOXYLIC ACID-1-(PHENYL(-AMIDE))-2-(PHENYL(-AMIDE)) DERIVATIVES AND 1-(PHENYLCARBAMOYL)-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATE PRODUCTS MERCK PATENT GMBH (DE) 2004-10-14 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 (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-20090018126-A1 4-Aminophenylmorpholinone Derivatives and Their Preparation HTR3C, ADRA2C, OPRM1 MAPT 553/4885GAA 4792/4885MEN1 3046/4885
US-20060211692-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products PDHA2, PDHA1, CPS1 MAPT 1753/4885GAA 767/4885MEN1 2832/4885
US-20140142303-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS CYP2C9, CYP3A5, CYP2J2 MAPT 3154/4885GAA 3808/4885MEN1 1579/4885

“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.