SCHEMBL230339

SCHEMBL230339

O=C(OC1CN2CCC1CC2)O[C@H](c1cccc(F)c1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 1/20 0.54
CHRM3 P20309 9/20 0.54
CHRM2 P08172 7/20 0.54
CHRM1 P11229 7/20 0.54
GLA P06280 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL230340 1.00 TSHR (0.55) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227333 0.94 CHRM3 (0.53) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227334 0.94 CHRM3 (0.53) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227273 0.90 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL227457 0.90 CHRM3 (0.50) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227272 0.90 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL227458 0.90 CHRM3 (0.50) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227121 0.89 CHRM3 (0.49) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227120 0.89 CHRM3 (0.49) TSHRRXFP1MAPTCHRM3CHRM2
SCHEMBL227236 0.88 ALDH1A1 (0.54) TSHRRXFP1MAPTCHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
EP-2313404-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2011-04-27 EP 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-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 TSHR 1262/4885RXFP1 424/4885MAPT 936/4885

“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.