SCHEMBL5334595

SCHEMBL5334595

CC(=O)NCC1COc2ccc(I)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.70
TRPV1 Q8NER1 1/20 0.42
MTNR1B P49286 6/20 0.42
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX5 P09917 1/20 0.37
TP53 P04637 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL5344278 0.86 MTNR1A (0.72) MTNR1ATRPV1MTNR1BITGB3ITGA2B
SCHEMBL6076652 0.85 MTNR1A (0.70) MTNR1ATRPV1MTNR1BITGB3ITGA2B
SCHEMBL5346165 0.85 MTNR1A (0.70) MTNR1ATRPV1MTNR1BITGB3ITGA2B
SCHEMBL5346519 0.85 MTNR1A (0.70) MTNR1ATRPV1MTNR1BACLY
SCHEMBL5261920 0.82 MTNR1A (1.00) MTNR1AMTNR1BTP53
SCHEMBL19658437 0.81 MTNR1A (0.65) MTNR1AMTNR1BTP53ACLY
SCHEMBL5336254 0.80 MTNR1A (0.70) MTNR1ATRPV1MTNR1BITGB3ITGA2B
SCHEMBL7822666 0.80 MTNR1A (0.77) MTNR1ATRPV1MTNR1BITGB3ITGA2B
SCHEMBL7201059 0.79 MTNR1A (0.62) MTNR1ATRPV1MTNR1B
SCHEMBL6078391 0.79 MTNR1A (0.62) MTNR1ATRPV1MTNR1BTP53

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 465/4885TRPV1 2763/4885MTNR1B 414/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885TRPV1 2408/4885MTNR1B 325/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885TRPV1 2763/4885MTNR1B 414/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885TRPV1 2372/4885MTNR1B 340/4885

“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.