SCHEMBL5334945

SCHEMBL5334945

O=C(Cc1ccccc1)NCCc1cccc2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.70
MTNR1B P49286 7/20 0.70
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NQO2 P16083 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5340676 0.86 MTNR1A (0.71) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5341352 0.85 MTNR1A (0.70) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5335200 0.85 MTNR1A (0.70) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5337569 0.85 MTNR1A (0.70) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5339356 0.85 NQO2 (0.55) MTNR1AMTNR1BNQO2
SCHEMBL5340371 0.83 MTNR1A (0.67) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5339350 0.83 MTNR1A (0.67) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5335782 0.82 MTNR1A (0.66) MTNR1AMTNR1BKMT2AHPGDMEN1
SCHEMBL5335929 0.82 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL5344439 0.81 NQO2 (0.76) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
EP-1077927-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058496-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 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 (4 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KMT2A 1322/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885KMT2A 3209/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KMT2A 1322/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885KMT2A 3174/4885

“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.