Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL747038

CN1C2CCC1CC(Oc1ccc(-c3cccc4[nH]ccc34)nc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.42
MTOR P42345 3/20 0.42
PIK3CA P42336 2/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 3/20 0.39
HTR3A P46098 4/20 0.39
HTR3E A5X5Y0 3/20 0.39
HTR3B O95264 3/20 0.39
HTR3D Q70Z44 3/20 0.39
HTR3C Q8WXA8 3/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 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
SCHEMBL745851 0.91 CHRNA7 (0.49) CHRNA7MTORPIK3CASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL743398 0.86 SLC6A4 (0.40) CHRNA7MTORPIK3CASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL1110457 0.83 CHRNA7 (0.39) CHRNA7MTORPIK3CASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL750049 0.78 SLC6A2 (0.43) CHRNA7SLC6A2SLC6A3OPRK1HTR3A
SCHEMBL746279 0.77 CHRNA7 (0.54) CHRNA7MTORPIK3CASLC6A2SLC6A3
SCHEMBL747203 0.76 SLC6A4 (0.44) CHRNA7SLC6A2SLC6A3KCNH2SLC6A4
Fumaric Acid SCHEMBL748438 0.75 CHRNA7 (0.46) CHRNA7MTORPIK3CASLC6A2SLC6A3
SCHEMBL747091 0.74 CHRNA7 (0.53) CHRNA7MTORPIK3CASLC6A2SLC6A3
Fumaric Acid SCHEMBL990089 0.74 CHRNA7 (0.42) CHRNA7MTORPIK3CAKCNH2HTR3A
Fumaric Acid SCHEMBL990090 0.74 CHRNA7 (0.42) CHRNA7MTORPIK3CAKCNH2HTR3A

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
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 2776/4885MTOR 861/4885PIK3CA 588/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885MTOR 861/4885PIK3CA 588/4885

“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.