Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2823069

C[N+]12CCC(CC1)[C@@H](NC(=O)C(O)(c1cccs1)c1cccs1)C2.O=C([O-])C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.56
CHRM2 P08172 16/20 0.56
CHRM1 P11229 16/20 0.56
RGS12 O14924 1/20 0.46

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
SCHEMBL2825558 0.93 CHRM3 (0.63) CHRM3CHRM2CHRM1RGS12
SCHEMBL2819754 0.93 CHRM3 (0.63) CHRM3CHRM2CHRM1RGS12
Bromide SCHEMBL2822233 0.92 CHRM3 (0.64) CHRM3CHRM2CHRM1RGS12
Trifluoroacetic Acid SCHEMBL2823809 0.83 CHRM3 (0.69) CHRM3CHRM2CHRM1RGS12
Trifluoroacetic Acid SCHEMBL2819774 0.83 CHRM3 (0.61) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2822237 0.79 CHRM3 (0.60) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2822239 0.79 CHRM3 (0.60) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2819788 0.78 CHRM3 (0.69) CHRM3CHRM2CHRM1
Bromide SCHEMBL6204880 0.77 CHRM3 (0.90) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2818934 0.76 CHRM3 (0.75) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP claimed
US-7488735-B2 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2009-02-10 US claimed
US-20080234316-A1 Quinuclidine Amide Derivatives ALMIRALL AG 2008-09-25 US claimed
JP-2005533826-A 2005-11-10 JP claimed
EP-1519933-A1 QUINUCLIDINE AMIDE DERIVATIVES Almirall Prodesfarma AG (CH) 2005-04-06 EP claimed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 WO claimed
US-7718670-B2 Quinuclidine amide derivatives LABORATORIOS ALMIRALL S.A (ES) 2010-05-18 US disclosed
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP disclosed
US-7488735-B2 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2009-02-10 US disclosed
US-20080234316-A1 Quinuclidine Amide Derivatives ALMIRALL AG 2008-09-25 US disclosed
US-20060167042-A1 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2006-07-27 US disclosed
EP-1519933-A1 QUINUCLIDINE AMIDE DERIVATIVES Almirall Prodesfarma AG (CH) 2005-04-06 EP disclosed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 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-20080234316-A1 Quinuclidine Amide Derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20060167042-A1 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.