SCHEMBL3777319

SCHEMBL3777319

Nc1ccccc1C1NCCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
PARP1 P09874 2/20 0.32
PRCP P42785 1/20 0.32
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GAA P10253 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPT P10636 1/20 0.31
KEAP1 Q14145 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ANPEP P15144 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
SCHEMBL9051041 0.77 SLC6A2 (0.44) GID4PRCPSLC6A2ADRA1AHTR2B
SCHEMBL3769660 0.74 CYP19A1 (0.39)
SCHEMBL11493571 0.71 SLC6A2 (0.40) GID4SMN1; SMN2PRCPSLC6A2ADRA1A
SCHEMBL23136984 0.69 PRKACA (0.45) GID4SMN1; SMN2SLC6A2ADRA1AHTR2B
SCHEMBL30463847 0.69 PRKACA (0.45) GID4SMN1; SMN2SLC6A2ADRA1AHTR2B
SCHEMBL15111039 0.69 SLC6A2 (0.38) GID4PRCPSLC6A2ADRA1AHTR2B
SCHEMBL28831344 0.68 PRCP (0.62) GID4SMN1; SMN2PRCPHTR2BGAA
Oxazolidine SCHEMBL14720881 0.67 SLC6A2 (0.36) GID4PRCPSLC6A2ADRA1AHTR2B
SCHEMBL27407366 0.67 TDP1 (0.43) PRCPGAAMAPTALDH1A1
SCHEMBL25628128 0.66 GID4 (0.43) GID4SMN1; SMN2PRCPGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090018126-A1 4-Aminophenylmorpholinone Derivatives and Their Preparation HTR3C, ADRA2C, OPRM1 GID4 1745/4885SMN1; SMN2 1025/4885PARP1 851/4885
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 GID4 4706/4885SMN1; SMN2 2306/4885PARP1 514/4885

“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.