SCHEMBL6076163

SCHEMBL6076163

CNC(=O)Cc1cccc2ccc(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 1/20 0.58
TRPV1 Q8NER1 3/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NQO2 P16083 4/20 0.53
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGER4 P35408 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL7019147 0.83 MTNR1A (0.60) MTNR1AMTNR1BTRPV1NQO2
SCHEMBL7199438 0.82 ATM (0.65) MTNR1AMEN1KMT2AATMLMNA
SCHEMBL7237625 0.82 MTNR1A (0.58) MTNR1AMTNR1BTRPV1MEN1KMT2A
SCHEMBL8017007 0.81 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL7103972 0.81 TDP1 (0.66) MTNR1AMTNR1BTRPV1MEN1KMT2A
SCHEMBL3960876 0.79 MTNR1A (0.60) MTNR1AMTNR1BTRPV1NQO2
SCHEMBL1034405 0.78 MTNR1A (0.55) MTNR1AMTNR1BTRPV1NQO2
SCHEMBL5350775 0.78 MTNR1A (0.51) MTNR1AMTNR1BTRPV1MEN1KMT2A
SCHEMBL7098615 0.77 MTNR1A (0.76) MTNR1AMTNR1BTRPV1NQO2
SCHEMBL15747695 0.77 KDM4E (0.55) MTNR1AMTNR1BTRPV1MEN1KMT2A

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 414/4885TRPV1 2763/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885TRPV1 2763/4885

“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.