SCHEMBL6076446

SCHEMBL6076446

C=CCSc1ccc2c(c1)OC(CNC(C)=O)=C(Cc1ccccc1)O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
MTNR1B P49286 7/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL6077132 0.79 MTNR1A (0.52) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL6076245 0.79 MTNR1A (0.43) MTNR1ASMN1; SMN2MTNR1BMAPTALDH1A1
SCHEMBL6077349 0.78 MTNR1A (0.51) MTNR1AMTNR1BKIF11RAB9A
SCHEMBL7202107 0.76 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6076248 0.69 MTNR1A (0.51) MTNR1AMTNR1BMAPTALDH1A1RAB9A
SCHEMBL6076259 0.69 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4
SCHEMBL6077210 0.63 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL6076022 0.63 MTNR1A (0.36) MTNR1ASMN1; SMN2MTNR1BKIF11MAPT
SCHEMBL7202654 0.63 MTNR1A (0.70) MTNR1AMTNR1BMAPTALDH1A1NPC1
SCHEMBL7198383 0.62 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1

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 465/4885SMN1; SMN2 4729/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885SMN1; SMN2 4729/4885MTNR1B 414/4885

“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.