SCHEMBL6076003

SCHEMBL6076003

CCCC(=O)NCC1COc2ccc(O)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.54
DRD3 P35462 1/20 0.45
TRPV1 Q8NER1 1/20 0.41
AIMP2 Q13155 1/20 0.40
MTNR1B P49286 4/20 0.40
ACLY P53396 1/20 0.39
MALT1 Q9UDY8 1/20 0.37
TP53 P04637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL5227633 0.85 MTNR1A (0.76) MTNR1AMTNR1BTP53
SCHEMBL5344278 0.85 MTNR1A (0.72) MTNR1ADRD3TRPV1AIMP2MTNR1B
SCHEMBL6075535 0.81 MTNR1A (0.53) MTNR1ADRD3TRPV1MTNR1BACLY
SCHEMBL6075929 0.76 MTNR1A (0.73) MTNR1ADRD3MTNR1BITGB3ITGA2B
SCHEMBL5346519 0.74 MTNR1A (0.70) MTNR1ATRPV1MTNR1BACLYMALT1
SCHEMBL7302536 0.73 MTNR1A (0.45) MTNR1ADRD3MALT1TP53ITGB3
SCHEMBL6076652 0.72 MTNR1A (0.70) MTNR1ATRPV1MTNR1BMALT1ITGB3
SCHEMBL5334595 0.72 MTNR1A (0.70) MTNR1ATRPV1MTNR1BACLYTP53
SCHEMBL5346165 0.72 MTNR1A (0.70) MTNR1ATRPV1MTNR1BTP53ITGB3
SCHEMBL6076004 0.71 MTNR1B (0.47) MTNR1AMTNR1B

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 465/4885DRD3 422/4885TRPV1 2763/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885DRD3 422/4885TRPV1 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.