SCHEMBL4079862

SCHEMBL4079862

O=C(O)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.55
CHRM1 P11229 4/20 0.55
CHRM3 P20309 4/20 0.55
LTB4R2 Q9NPC1 6/20 0.48
RAB9A P51151 2/20 0.46
PTPRB P23467 1/20 0.43
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
ACHE P22303 1/20 0.40
CETP P11597 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL4677800 0.88 LTB4R2 (0.50) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL6827496 0.88 RAB9A (0.53) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL4094540 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL6830534 0.87 LTB4R2 (0.50) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL6831433 0.86 LTB4R2 (0.54) LTB4R2RAB9APTPRBCETPMEN1
SCHEMBL4089396 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL4734260 0.84 LTB4R2 (0.64) CHRM2CHRM1CHRM3LTB4R2RAB9A
SCHEMBL4244213 0.79 KDM4E (0.48) LTB4R2RAB9APTPRBALDH1A1ACHE
SCHEMBL6830224 0.79 TDP1 (0.43) CHRM2CHRM1CHRM3RAB9ANPC1
SCHEMBL27711364 0.75 RAB9A (0.72) LTB4R2RAB9APTPRBNPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
EP-1461336-A2 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-09-29 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO disclosed
WO-2003053966-A2 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-07-03 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 (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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“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.