SCHEMBL5341627

SCHEMBL5341627

CC(=O)NCCC1COc2ccc(O)cc2O1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.72
DRD2 P14416 3/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
AIMP2 Q13155 2/20 0.47
HTT P42858 1/20 0.43
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7200942 0.84 MTNR1A (1.00) MTNR1AALDH1A1POLB
SCHEMBL7201020 0.84 MTNR1A (0.74) MTNR1ADRD2AIMP2HTTCA2
SCHEMBL6076062 0.79 MTNR1A (0.61) MTNR1ADRD2AIMP2HTTCA2
SCHEMBL7204558 0.76 MTNR1A (0.71) MTNR1ADRD2HTTCA2ALDH1A1
SCHEMBL6075929 0.76 MTNR1A (0.73) MTNR1ADRD3
SCHEMBL6076831 0.76 MTNR1A (0.57) MTNR1AAIMP2HTTCA2ALDH1A1
SCHEMBL6628533 0.74 DRD2 (0.58) DRD2DRD4DRD3AIMP2ALDH1A1
SCHEMBL6629303 0.74 DRD2 (0.58) DRD2DRD4DRD3AIMP2ALDH1A1
SCHEMBL9205435 0.73 DRD3 (0.57) DRD2DRD4DRD3CA2ALDH1A1
SCHEMBL9206686 0.73 DRD3 (0.57) DRD2DRD4DRD3CA2ALDH1A1

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 13 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
EP-1077928-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
WO-1999058496-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 465/4885DRD2 434/4885DRD4 373/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885DRD2 454/4885DRD4 280/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885DRD2 434/4885DRD4 373/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885DRD2 424/4885DRD4 265/4885

“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.