SCHEMBL4151675

SCHEMBL4151675

CC(=O)N(CCc1ccc(O)cc1)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.53
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 1/20 0.41
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL4156779 0.95 OPRM1 (0.53) SLC7A5OPRM1OPRD1OPRK1HDAC8
SCHEMBL29053326 0.82 SLC7A5 (0.50) SLC7A5OPRM1OPRD1OPRK1HDAC8
SCHEMBL9724064 0.82 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL11331545 0.82 KDM4E (0.52) OPRM1OPRD1OPRK1TAAR1SLC6A2
SCHEMBL10435928 0.78 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL8673016 0.77 SLC7A5 (0.57) SLC7A5OPRM1OPRD1OPRK1TAAR1
SCHEMBL27375801 0.77 SLC7A5 (0.57) SLC7A5OPRM1OPRD1OPRK1TAAR1
Hydrochloric Acid SCHEMBL6165180 0.76 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
Hydrochloric Acid SCHEMBL6165185 0.76 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL28185553 0.76 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2ESR1ESR2

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 SLC7A5 298/4885OPRM1 126/4885OPRD1 179/4885

“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.