SCHEMBL4439368

SCHEMBL4439368

NC1(Cc2ccccc2)CCCCC1(N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.61
MAOB P27338 7/20 0.61
KDM1A O60341 4/20 0.46
DPP4 P27487 1/20 0.42

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
SCHEMBL5132413 1.00 MAOA (0.61) MAOAMAOBKDM1ADPP4
Bromide SCHEMBL18281826 0.98 MAOA (0.59) MAOAMAOBKDM1ADPP4
Bromide SCHEMBL29489587 0.98 MAOA (0.59) MAOAMAOBKDM1ADPP4
SCHEMBL433971 0.82 MAOA (0.83) MAOAMAOBKDM1ADPP4
Hydrochloric Acid SCHEMBL3967040 0.80 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL20104709 0.80 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL2289825 0.80 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL8803044 0.80 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL20198582 0.80 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL5774057 0.78 KDM1A (0.40) MAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11589583-B2 Pyrrolidinones herbicides FMC CORPORATION (US) 2023-02-28 US disclosed
CN-102531918-B Method for synthesizing enantiomorphous pure symmetric trans-dialkyl cyclohexylamine ANYANG INST TECHNOLOGY 2013-10-02 CN disclosed
CN-101914051-B Synthesis method of 3-phenyl pyrroline derivatives with optical isomerism purity JIAXING EPOCHEM PHARMTECH CO LTD 2013-03-13 CN disclosed
CN-102531918-A Method for synthesizing enantiomorphous pure symmetric trans-dialkyl cyclohexylamine ANYANG INST TECHNOLOGY 2012-07-04 CN disclosed
CN-101914051-A Synthesis method of 3-phenyl pyrroline derivatives with optical isomerism purity JIAXING EPOCHEM PHARMTECH CO LTD 2010-12-15 CN disclosed
CN-101801984-A Chiral phosphoramides, chiral N-phosphonimines and methods for forming the same NOWA PHARMACEUTICALS CO LTD 2010-08-11 CN disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
EP-1904460-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.p.A. (IT) 2008-04-02 EP disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
EP-1786475-A2 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) Bracco Imaging, S.P.A. (IT) 2007-05-23 EP disclosed
EP-1765812-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS Bracco Imaging, S.P.A. (IT) 2007-03-28 EP disclosed
WO-2006136564-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.P.A. (IT) 2006-12-28 WO disclosed
WO-2006002873-A2 1 , 4 -BIS (CARBOXYMETHYL) -6- ' BIS ( CARBOXYMETHYL) AMINO ! -6 -METHYL- PERHYDRO-1 , 4 DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI ) BRACCO IMAGING SPA (IT) 2006-01-12 WO disclosed
WO-2006002875-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 WO disclosed
WO-2006002874-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN 1, 4, 7, 10-TERTRAAZACYCLODECAN-1, 4, 7-TRIACETIC ACID CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 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 (1 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-11589583-B2 Pyrrolidinones herbicides DDT, ARG1, CYP1B1 MAOA 1167/4885MAOB 864/4885KDM1A 546/4885

“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.