SCHEMBL4156779

SCHEMBL4156779

CC(=O)N(CCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
OPRD1 P41143 6/20 0.53
OPRK1 P41145 6/20 0.53
SLC7A5 Q01650 2/20 0.51
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
LAP3 P28838 1/20 0.44
ENPEP Q07075 1/20 0.44
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
GLI1 P08151 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
SCHEMBL4151675 0.95 SLC7A5 (0.53) OPRM1OPRD1OPRK1SLC7A5KDM4E
SCHEMBL29053326 0.88 SLC7A5 (0.50) OPRM1OPRD1OPRK1SLC7A5ALPI
SCHEMBL9724064 0.81 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17137794 0.81 ALPI (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17137782 0.81 ALPI (0.51) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL10976701 0.78 OPRD1 (0.45) OPRM1OPRD1OPRK1SLC7A5ALPI
SCHEMBL10622615 0.78 OPRD1 (0.43) OPRM1OPRD1OPRK1SLC7A5ALPI
SCHEMBL11331545 0.78 KDM4E (0.52) OPRM1OPRD1OPRK1PKMPTGS1
SCHEMBL8612897 0.77 ERAP2 (0.45) OPRM1OPRD1OPRK1SLC7A5KDM4E
Hydrochloric Acid SCHEMBL8612749 0.77 ERAP2 (0.44) OPRM1OPRD1OPRK1SLC7A5KDM4E

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 3 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-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

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-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 OPRM1 126/4885OPRD1 179/4885OPRK1 211/4885

“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.