SCHEMBL6076590

SCHEMBL6076590

O=C(CC=Cc1ccccc1)NCCc1csc2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.47
MTNR1B P49286 6/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.41
CA2 P00918 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL6076586 1.00 MTNR1A (0.47) MTNR1AMTNR1BMAOBMAOAHDAC10
SCHEMBL6076318 0.88 MAPT (0.51) MTNR1AMTNR1BMAOBMAOAMAPT
SCHEMBL6076315 0.88 MAPT (0.51) MTNR1AMTNR1BMAOBMAOAMAPT
SCHEMBL6076006 0.86 MMP1 (0.53) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL6076002 0.86 MMP1 (0.53) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL6077556 0.82 MTNR1A (0.53) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL6086462 0.81 MAPT (0.57) MTNR1AMTNR1BMAPTCYP2A6
SCHEMBL6075521 0.80 MTNR1A (0.57) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL5336227 0.79 HDAC10 (0.55) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL6075680 0.78 MTNR1A (0.66) MTNR1AMTNR1BHDAC10HDAC11HDAC8

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-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
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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-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 (2 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 414/4885MAOB 768/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885MAOB 768/4885

“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.