SCHEMBL230488

SCHEMBL230488

OC(c1cccc(F)c1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRL1 P41146 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACP3 P15309 1/20 0.42
BRD4 O60885 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
IGFBP3 P17936 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
SCHEMBL227352 0.88 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL424623 0.88 ACP3 (0.50) MEN1KMT2AACP3BRD4SLC6A2
SCHEMBL6349980 0.87 CES2 (0.45) OPRL1CES2CES1HDAC4HDAC7
SCHEMBL6564479 0.87 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL477531 0.82 ACP3 (0.55) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL230516 0.82 CES2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL477566 0.82 ACP3 (0.55) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL230487 0.82 IDO1 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL20862602 0.81 CES2 (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6002784 0.80 ACP3 (0.44) OPRM1OPRL1OPRD1OPRK1MEN1

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 12 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
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 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 OPRM1 88/4885OPRL1 122/4885OPRD1 114/4885
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 OPRM1 88/4885OPRL1 122/4885OPRD1 114/4885
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 OPRM1 88/4885OPRL1 122/4885OPRD1 114/4885

“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.