SCHEMBL4164885

SCHEMBL4164885

CCC(=O)NCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.74
MTNR1B P49286 3/20 0.74
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AOC3 Q16853 2/20 0.52
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50

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
SCHEMBL30259923 0.86 MTNR1A (0.61) MTNR1AMTNR1BMEN1KMT2A
Benzene SCHEMBL29176463 0.85 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2
SCHEMBL154367 0.85 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2
SCHEMBL30259900 0.84 AOC3 (0.72) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL19002540 0.81 SPR (0.71) MTNR1AMTNR1B
SCHEMBL26079448 0.81 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2
SCHEMBL10106169 0.81 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL14241863 0.80 MTNR1A (0.67) MTNR1AMTNR1BHPGD
SCHEMBL14241870 0.80 ALDH1A1 (0.71) MTNR1AMTNR1BMEN1ALDH1A1HPGD
SCHEMBL31173308 0.80 MTNR1A (0.67) MTNR1AMTNR1B

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 6 patents. 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 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-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-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-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 MTNR1A 616/4885MTNR1B 473/4885MEN1 4281/4885
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 MTNR1A 630/4885MTNR1B 482/4885MEN1 4439/4885

“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.