SCHEMBL4089900

SCHEMBL4089900

O=C(Cl)N(Cc1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTB4R2 Q9NPC1 4/20 0.46
RIPK1 Q13546 1/20 0.46
PTPRB P23467 1/20 0.44
ACHE P22303 1/20 0.44
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4094540 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3PTGDR2MEN1
SCHEMBL4089396 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3PTGDR2MEN1
Hydrochloric Acid SCHEMBL27614847 0.83 CHRM2 (0.50) CHRM2CHRM1CHRM3PTGDR2MEN1
SCHEMBL6827496 0.81 RAB9A (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL6079185 0.79 CHRM2 (0.43) CHRM2CHRM1CHRM3PTGDR2MEN1
SCHEMBL4677800 0.78 LTB4R2 (0.50) CHRM2CHRM1CHRM3PTGDR2MEN1
SCHEMBL27711364 0.78 RAB9A (0.72) PTGDR2MEN1KMT2ALTB4R2PTPRB
SCHEMBL6831433 0.76 LTB4R2 (0.54) PTGDR2MEN1KMT2ALTB4R2PTPRB
SCHEMBL6830534 0.75 LTB4R2 (0.50) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL2814910 0.74 NPC1 (0.68) CHRM2CHRM1CHRM3MEN1KMT2A

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 5 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
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 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 (2 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-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.