SCHEMBL7024310

SCHEMBL7024310

CC(=O)NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.70
MTNR1B P49286 12/20 0.70
HTR1A P08908 5/20 0.70
NOTUM Q6P988 3/20 0.70
CYP1A2 P05177 3/20 0.70
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
HPGD P15428 2/20 0.70
BLM P54132 2/20 0.70
NQO2 P16083 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
HTR2B P41595 1/20 0.70
RAB9A P51151 1/20 0.70
PMP22 Q01453 1/20 0.70
KMT2A Q03164 1/20 0.70
CYP1B1 Q16678 1/20 0.70

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
SCHEMBL7021092 0.89 HTR1A (0.64) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
SCHEMBL26826208 0.85 MTNR1A (0.74) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL7171959 0.83 MTNR1A (0.91) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL28165282 0.83 MTNR1A (0.91) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL29349848 0.83 MTNR1A (1.00) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
SCHEMBL30630419 0.83 MTNR1A (0.81) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
SCHEMBL9326663 0.83 MTNR1A (0.81) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL19018 0.83 MTNR1A (1.00) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL4686085 0.83 MTNR1A (1.00) MTNR1AMTNR1BHTR1ANOTUMCYP1A2
Melatonin SCHEMBL8060688 0.83 MTNR1A (1.00) MTNR1AMTNR1BHTR1ANOTUMCYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
US-6635650-B2 Such as N-(2-(7-(2-((8-(2-(acetyl-amino)ethyl)-2-naphthyl) oxy)ethoxy)-1-napthyl)ethyl)acetamide for treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-10-21 US disclosed
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 EP disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-20020035114-A1 Substituted dimeric compounds LESIEUR DANIEL (FR) 2002-03-21 US disclosed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP disclosed
EP-0617618-A1 ARYL-TRIFLATES AND RELATED COMPOUNDS WIKSTRÖM, Hakan Vilhelm (NL) 1994-10-05 EP disclosed
WO-1993011761-A1 ARYL-TRIFLATES AND RELATED COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-24 WO 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-20020035114-A1 Substituted dimeric compounds NR0B2, NR0B1, NR2C2 MTNR1A 4/4885MTNR1B 5/4885HTR1A 159/4885

“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.