Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL744720

CN1C2CCC1CC(Nc1ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)nc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.47
KCNH2 Q12809 4/20 0.47
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
DGAT1 O75907 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA1 P30542 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
ATP6V1B1 P15313 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL745678 0.94 KCNH2 (0.52) CHRNA7KCNH2GSK3BDYRK1ABRD4
SCHEMBL745677 0.94 KCNH2 (0.52) CHRNA7KCNH2GSK3BDYRK1ABRD4
Trifluoroacetic Acid SCHEMBL989901 0.86 KCNH2 (0.41) CHRNA7KCNH2GSK3BDYRK1ABRD4
Trifluoroacetic Acid SCHEMBL989899 0.86 KCNH2 (0.41) CHRNA7KCNH2GSK3BDYRK1ABRD4
Hydrochloric Acid SCHEMBL746659 0.80 CHRNA7 (0.48) CHRNA7KCNH2BRD4ATAD2
Hydrochloric Acid SCHEMBL746658 0.80 CHRNA7 (0.48) CHRNA7KCNH2BRD4ATAD2
Fumaric Acid SCHEMBL989196 0.79 CHRNA7 (0.43) CHRNA7KCNH2GSK3BDYRK1AMEN1
Fumaric Acid SCHEMBL989195 0.79 CHRNA7 (0.43) CHRNA7KCNH2GSK3BDYRK1AMEN1
SCHEMBL745268 0.79 CHRNA7 (0.48) CHRNA7KCNH2BRD4ATAD2
SCHEMBL745267 0.79 CHRNA7 (0.48) CHRNA7KCNH2BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885GSK3B 3375/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885GSK3B 3375/4885

“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.