SCHEMBL229877

SCHEMBL229877

OC(c1cccc(F)c1)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IGFBP3 P17936 1/20 0.42
BRD4 O60885 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL14415756 0.84 CES2 (0.41) CES2CES1IDO1TDO2HDAC4
SCHEMBL31067420 0.84 IDO1 (0.42) CES2CES1IDO1TDO2BRD4
SCHEMBL17064312 0.84 IDO1 (0.42) CES2CES1IDO1TDO2BRD4
SCHEMBL14528193 0.82 GAA (0.53) CES2CES1IDO1TDO2HDAC4
SCHEMBL30986736 0.82 HDAC4 (0.44) CES2CES1IDO1TDO2HDAC4
SCHEMBL27589337 0.82 IDO1 (0.40) CES2CES1IDO1TDO2HDAC4
SCHEMBL30986701 0.82 IDO1 (0.50) CES2CES1IDO1TDO2BRD4
SCHEMBL477718 0.82 IDO1 (0.50) CES2CES1IDO1TDO2BRD4
SCHEMBL30910884 0.82 IDO1 (0.50) CES2CES1IDO1TDO2BRD4
SCHEMBL3858520 0.82 IDO1 (0.50) CES2CES1IDO1TDO2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440690-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-14 US disclosed
US-8404712-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-26 US disclosed
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-01-05 US disclosed
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 US disclosed
US-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
CN-102112474-A Quinuclidine carbonate derivatives and medicinal composition thereof CHIESI FARMA SPA 2011-06-29 CN disclosed
EP-2313404-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2011-04-27 EP disclosed
WO-2010015324-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 WO disclosed
US-20100035922-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 US 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 (3 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-20100035922-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CES2 2730/4885CES1 1576/4885IDO1 1692/4885
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CES2 2730/4885CES1 1576/4885IDO1 1692/4885
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CES2 2730/4885CES1 1576/4885IDO1 1692/4885

“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.