SCHEMBL7024784

SCHEMBL7024784

COc1ccc2scc(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 1.00
MTNR1B P49286 15/20 1.00
HTR2B P41595 2/20 0.60
HTR2C P28335 1/20 0.60
NQO2 P16083 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1B1 Q16678 1/20 0.59

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
SCHEMBL7021129 0.88 MTNR1A (0.78) MTNR1AMTNR1BHTR2BHTR2CNQO2
SCHEMBL7015784 0.88 MTNR1A (0.87) MTNR1AMTNR1B
SCHEMBL7025243 0.86 MTNR1A (0.89) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL9120459 0.86 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL28557186 0.85 MTNR1A (0.74) MTNR1AMTNR1BKMT2A
SCHEMBL9121553 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7017969 0.84 MTNR1A (1.00) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL7017936 0.83 MTNR1A (1.00) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL5347056 0.83 MTNR1A (0.74) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7019670 0.83 MTNR1A (0.70) MTNR1AMTNR1BHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US 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-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 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 (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 5/4885HTR2B 296/4885

“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.