SCHEMBL629488

SCHEMBL629488

COc1ccc2c(c1)CC(OC(C)=O)CC2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.61
MTNR1B P49286 5/20 0.61
DRD2 P14416 5/20 0.56
DRD3 P35462 5/20 0.56
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
ACHE P22303 3/20 0.54
DRD4 P21917 2/20 0.48
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CYP19A1 P11511 1/20 0.46
ESR1 P03372 1/20 0.45
HTR2C P28335 1/20 0.44
NQO2 P16083 3/20 0.44

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
SCHEMBL8766729 0.92 MTNR1B (0.55) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8766720 0.92 MTNR1B (0.55) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL629694 0.82 DRD3 (0.51) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL5485492 0.82 DRD2 (0.66) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL629819 0.80 HRH3 (0.52)
SCHEMBL30612403 0.79 MTNR1A (0.53) MTNR1AMTNR1BDRD2HTR2C
SCHEMBL6405616 0.78 DRD2 (0.57) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL345882 0.77 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8603880 0.77 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL345881 0.77 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (1 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC MTNR1A 2060/4885MTNR1B 1619/4885DRD2 4698/4885

“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.