SCHEMBL4152553

SCHEMBL4152553

O=C(Cc1ccccc1)NCCc1ccc(O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.78
ESRRB O95718 1/20 0.68
ESRRG P62508 1/20 0.68
HPGD P15428 3/20 0.68
GAA P10253 2/20 0.68
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
HSD17B2 P37059 1/20 0.65
CDK5 Q00535 1/20 0.65
CDK5R1 Q15078 1/20 0.65
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PLAAT3 P53816 1/20 0.60
PLAAT5 Q96KN8 1/20 0.60
PLAAT2 Q9NWW9 1/20 0.60

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
SCHEMBL4152627 1.00 TRPV1 (0.78) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL11706331 0.95 TRPV1 (0.72) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL4161209 0.93 ESRRB (0.77) TRPV1ESRRBESRRGHPGDGAA
SCHEMBL4153733 0.91 HPGD (0.79) TRPV1HPGDGAACA1CA2
SCHEMBL4151976 0.87 GAA (0.74) TRPV1HPGDGAAMEN1KMT2A
SCHEMBL4151866 0.87 GAA (0.74) TRPV1HPGDGAAMEN1KMT2A
SCHEMBL22664772 0.85 CA1 (0.69) TRPV1HPGDGAACA1CA2
SCHEMBL13332523 0.85 EPHX2 (0.79) TRPV1HPGDGAACA1CA2
SCHEMBL8803541 0.85 LTA4H (0.79) TRPV1HPGDGAACA1CA2
SCHEMBL6962982 0.85 CA1 (0.69) TRPV1HPGDGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US 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
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US 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
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
EP-2675816-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS The Governors of the University of Alberta (CA) 2013-12-25 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-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
WO-2012109749-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-08-23 WO 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

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-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids BCAT1, ME1, BCAT2 TRPV1 4862/4885ESRRB 2079/4885ESRRG 1596/4885
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 TRPV1 2120/4885ESRRB 4441/4885ESRRG 4296/4885

“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.