SCHEMBL5344281

SCHEMBL5344281

CC(=O)NCC1COCc2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.44
MTNR1B P49286 9/20 0.44
HTR6 P50406 1/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
NQO2 P16083 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 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
SCHEMBL5346521 0.88 MTNR1A (0.43) MTNR1AMTNR1BHTR6MEN1KMT2A
SCHEMBL6075932 0.87 MTNR1A (0.46) MTNR1AMTNR1BNQO2
SCHEMBL6076656 0.86 MTNR1A (0.43) MTNR1AMTNR1BHTR6NQO2HTR2C
SCHEMBL5346167 0.86 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR2C
SCHEMBL5334597 0.86 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR2C
SCHEMBL6076004 0.85 MTNR1B (0.47) MTNR1AMTNR1BNQO2
SCHEMBL6075539 0.85 MTNR1A (0.45) MTNR1AMTNR1BESR1ESR2NQO2
SCHEMBL5261924 0.84 MTNR1A (0.58) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6078398 0.80 CYP1A2 (0.40) MTNR1AMTNR1BHTR6MEN1GAA
SCHEMBL4758379 0.79 MIF (0.47) ESR1ESR2GLAGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
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
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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 (4 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 414/4885HTR6 1493/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885HTR6 833/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885HTR6 1493/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885HTR6 848/4885

“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.