SCHEMBL6075910

SCHEMBL6075910

CC(=O)NC1CCc2c(C)ccc(O)c2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
ACHE P22303 2/20 0.46
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6077094 0.84 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6076711 0.80 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL9406032 0.77 MTNR1A (0.71) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10357546 0.77 CA1 (0.75) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL14591355 0.77 MTNR1A (0.71) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7837957 0.73 TSHR (0.36) CA1CA2ACHEMAOAMAOB
SCHEMBL6081151 0.73 CA1 (0.43) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL10277925 0.72 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11496541 0.72 MTNR1A (0.72) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8548253 0.71 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE

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 414/4885CA1 2119/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885CA1 2119/4885

“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.