SCHEMBL629694

SCHEMBL629694

CC(=O)OC1CCc2ccc(O)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.51
DRD2 P14416 9/20 0.51
DRD4 P21917 6/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
ACHE P22303 3/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR1A P08908 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP2D6 P10635 1/20 0.46
CASP1 P29466 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 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
SCHEMBL7210952 0.94 OPRK1 (0.51) DRD3DRD2DRD4CA1CA2
SCHEMBL9998852 0.86 DRD3 (0.47) DRD3DRD2DRD4CA1CA2
SCHEMBL629488 0.82 MTNR1A (0.61) DRD3DRD2DRD4CA1CA2
SCHEMBL30612403 0.81 MTNR1A (0.53) DRD2KMT2ATSHRMTNR1AMTNR1B
SCHEMBL10263158 0.80 DRD3 (0.46) DRD3DRD2DRD4CA1CA2
SCHEMBL629819 0.77 HRH3 (0.52) CYP2D6
SCHEMBL29697543 0.75 MTNR1A (0.49) DRD2MEN1KMT2ALMNATSHR
SCHEMBL8766720 0.74 MTNR1B (0.55) DRD3DRD2DRD4CA1CA2
SCHEMBL8766729 0.74 MTNR1B (0.55) DRD3DRD2DRD4CA1CA2
SCHEMBL6206994 0.74 MAPK1 (0.53) DRD2MEN1KMT2ALMNAMAPT

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 DRD3 4750/4885DRD2 4698/4885DRD4 4789/4885

“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.