Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL990616

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3ccc4occc4c3)nn1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.45
KCNH2 Q12809 4/20 0.45
HTR3A P46098 3/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
KMO O15229 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
SCD O00767 1/20 0.34
CTSC P53634 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL745211 1.00 CHRNA7 (0.45) CHRNA7KCNH2HTR3AHTR3EHTR3B
SCHEMBL745398 0.91 CHRNA7 (0.53) CHRNA7KCNH2HTR3AHTR3EHTR3B
SCHEMBL745399 0.91 CHRNA7 (0.53) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL989041 0.85 CHRNA7 (0.42) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL744964 0.84 CHRNA7 (0.52) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL745728 0.83 NPC1 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
Trifluoroacetic Acid SCHEMBL764686 0.83 CHRNA7 (0.44) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL990814 0.82 CHRNA7 (0.46) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL990815 0.82 CHRNA7 (0.46) CHRNA7KCNH2HTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL747090 0.82 CHRNA7 (0.51) CHRNA7KCNH2HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 708/4885HTR3A 2305/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885HTR3A 2305/4885

“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.