SCHEMBL228667

SCHEMBL228667

OC(c1cccc(F)c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRL1 P41146 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
DHODH Q02127 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL29989732 0.98 IDO1 (0.46) IDO1TDO2NPC1RAB9AMEN1
SCHEMBL23579527 0.98 IDO1 (0.46) IDO1TDO2NPC1RAB9AMEN1
SCHEMBL5482724 0.91 CES2 (0.46) IDO1TDO2OPRL1CES2CES1
SCHEMBL16861689 0.83 CES2 (0.41) OPRL1CES2CES1OPRM1OPRD1
SCHEMBL4972107 0.82 SLC6A2 (0.42)
SCHEMBL16191308 0.79 OPRL1 (0.43) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL18706778 0.79 SLC18A3 (0.43) IDO1MEN1KMT2ADHODH
SCHEMBL26326631 0.78 DHODH (0.54) NPC1RAB9ADHODH
SCHEMBL16586403 0.78 OPRL1 (0.47) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL3442705 0.78 HIF1A (0.60) MEN1GAAKMT2A

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 IDO1 1692/4885TDO2 2447/4885NPC1 2113/4885
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 IDO1 1692/4885TDO2 2447/4885NPC1 2113/4885
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 IDO1 1692/4885TDO2 2447/4885NPC1 2113/4885

“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.