Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2823809

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

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.69
CHRM2 P08172 14/20 0.69
CHRM1 P11229 14/20 0.69
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2C P18825 2/20 0.45
TACR1 P25103 2/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 2/20 0.45
OPRK1 P41145 2/20 0.45
KCNH2 Q12809 2/20 0.45
RGS12 O14924 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
APOBEC3A P31941 1/20 0.45
CYP2C19 P33261 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL2821074 0.94 CHRM3 (0.77) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2819774 0.84 CHRM3 (0.61) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2818934 0.84 CHRM3 (0.75) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2823069 0.83 CHRM3 (0.56) CHRM3CHRM2CHRM1RGS12
Trifluoroacetic Acid SCHEMBL2827207 0.83 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2819788 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2823707 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2821963 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2823063 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2822239 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5

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 11 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
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 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.