SCHEMBL3495093

SCHEMBL3495093

O=C(O)C1OC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.42
KDM4E B2RXH2 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
TFPI2 P48307 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL17262920 0.80
SCHEMBL7666526 0.71 MAPK1 (0.34)
SCHEMBL8555632 0.69
SCHEMBL13735624 0.69 TSHR (0.39) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL5584855 0.69
SCHEMBL10701438 0.67 KDM4E (0.42) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL1602564 0.65
SCHEMBL13795024 0.64 KDM4E (0.44) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL8067270 0.64 KDM4E (0.44) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL4738727 0.64 KDM4E (0.44) KDM4EGMNNLMNAPMP22TFPI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3651762-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-05-20 EP disclosed
EP-3634967-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS Novartis AG (CH) 2020-04-15 EP disclosed
WO-2019014427-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-01-17 WO disclosed
WO-2018225009-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS AG (CH) 2018-12-13 WO disclosed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
EP-2129224-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C SUCNR1 2025/4885KDM4E 1897/4885GMNN 3844/4885

“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.