SCHEMBL6076711

SCHEMBL6076711

CCSc1ccc(C)c2c1CC(NC(C)=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.45
MTNR1B P49286 9/20 0.45
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL6075910 0.80 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL6077094 0.79 MTNR1A (0.49) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL14591355 0.71 MTNR1A (0.71) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL11041081 0.68 MTNR1A (0.62) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL10277925 0.68 MTNR1A (0.56) MTNR1AMTNR1BMAPTKDM4E
SCHEMBL11496541 0.67 MTNR1A (0.72) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL11039036 0.66 DRD2 (0.53) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL11035639 0.65 MTNR1A (0.57) MTNR1AMTNR1BALOX15CYP1A2MAPT
SCHEMBL5120576 0.65 ACE (0.41) MTNR1AMTNR1B
SCHEMBL11053196 0.65 DRD2 (0.59) MTNR1AMTNR1BALOX15CYP1A2MAPT

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 414/4885ALOX15 4086/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885ALOX15 4086/4885

“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.