SCHEMBL4151976

SCHEMBL4151976

O=C(CCc1ccc(O)cc1)NCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.74
PLAAT5 Q96KN8 2/20 0.64
PLAAT4 Q9UL19 2/20 0.64
PLAAT3 P53816 1/20 0.64
PLAAT2 Q9NWW9 1/20 0.64
TRPV1 Q8NER1 3/20 0.63
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
HDAC4 P56524 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
GFER P55789 1/20 0.61
HPGD P15428 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.59

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
SCHEMBL4151866 1.00 GAA (0.74) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL2379821 0.93 KDM4E (0.65) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL2186352 0.91 HDAC2 (0.72) GAAPLAAT5PLAAT4HDAC3HDAC1
SCHEMBL7379496 0.90 TRPV1 (0.78) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL7379616 0.89 TRPV1 (0.76) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL4152553 0.87 TRPV1 (0.78) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL11269450 0.87 TRPV1 (0.82) GAATRPV1HPGDL3MBTL1MEN1
SCHEMBL1894742 0.87 TRPV1 (0.82) GAATRPV1HPGDL3MBTL1MEN1
SCHEMBL4152627 0.87 TRPV1 (0.78) GAAPLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL7765076 0.86 L3MBTL1 (0.79) PLAAT5PLAAT4TRPV1HDAC3HDAC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016038377-A1 BIOMARKER THE UNIVERSITY OF WARWICK (GB) 2016-03-17 WO claimed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US claimed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP claimed
CN-106324153-A Method for measuring content and optical purity of amino acid-N-formic anhydride 深圳翰宇药业股份有限公司 2017-01-11 CN disclosed
WO-2016038377-A1 BIOMARKER THE UNIVERSITY OF WARWICK (GB) 2016-03-17 WO disclosed
EP-1876169-B1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTENNOSTIYU PHARMENTPR (RU) 2015-12-30 EP disclosed
EP-1546088-B1 COMPOUNDS FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES, IMMUNO-ALLERGICAL DISEASES AND ORGAN OR TISSUE TRANSPLANTATION REJECTION NOVAREMED LTD (IL) 2014-12-17 EP disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-05-02 US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP disclosed
WO-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 WO disclosed
US-4908322-A Reacting sample with O-acyl N-hydroxysulfosuccinamide to form N-acylated amine derivative, separating, chromatographically analyzing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-03-13 US 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-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF MAOA, PAH, MAOB GAA 79/4885PLAAT5 1194/4885PLAAT4 1838/4885
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH GAA 63/4885PLAAT5 847/4885PLAAT4 1377/4885

“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.