SCHEMBL7021115

SCHEMBL7021115

O=C(NCCc1csc2ccc(Br)cc12)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.67
MTNR1B P49286 7/20 0.67
CYP2A6 P11509 1/20 0.45
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7018436 0.87 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7021548 0.86 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7021068 0.86 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7237645 0.85 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7241799 0.84 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7018620 0.84 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7241794 0.84 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL9118982 0.84 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1
SCHEMBL7024193 0.84 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL7017107 0.84 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1

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 5 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
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 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 5/4885CYP2A6 260/4885

“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.