SCHEMBL6076282

SCHEMBL6076282

CC(=O)NCC1CCOc2cc(S)ccc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
MTNR1B P49286 5/20 0.43
KDM4C Q9H3R0 12/20 0.41
KDM6B O15054 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
SCHEMBL6076277 0.90 MTNR1A (0.48) MTNR1AMTNR1BKDM4C
SCHEMBL6077048 0.86 MTNR1A (0.44) MTNR1AMTNR1BKDM4CKDM6B
SCHEMBL5226604 0.82 MTNR1A (0.61) MTNR1AMTNR1BKDM4C
SCHEMBL6077044 0.78 MTNR1A (0.49) MTNR1AMTNR1BKDM4C
SCHEMBL6075869 0.76 KDM4C (0.46) KDM4CKDM6B
SCHEMBL6077498 0.76 HTR1A (0.43) MTNR1AMTNR1BKDM4CKDM6B
SCHEMBL5226600 0.75 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6076702 0.73 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL21258054 0.73 KDM4C (0.48) KDM4CKDM6B
SCHEMBL17374777 0.73 KDM4C (0.60) KDM4CKDM6B

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 414/4885KDM4C 1100/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KDM4C 1100/4885

“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.