Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL750049

CN1C2CCC1CC(Oc1ccc(-c3ccc(N)cc3)nc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
OPRK1 P41145 1/20 0.43
DGAT1 O75907 2/20 0.40
HTR3A P46098 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
CHRNA7 P36544 2/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
CYP3A4 P08684 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL989954 0.89 SLC6A2 (0.50) SLC6A2SLC6A3OPRK1CHRNA7CHRM2
Trifluoroacetic Acid SCHEMBL989041 0.82 CHRNA7 (0.42) SLC6A2SLC6A3OPRK1HTR3AHTR3E
Trifluoroacetic Acid SCHEMBL747038 0.78 CHRNA7 (0.42) SLC6A2SLC6A3OPRK1HTR3AHTR3E
Trifluoroacetic Acid SCHEMBL15476928 0.76 SLC6A3 (0.57) SLC6A2SLC6A3OPRK1HTR3AHTR3E
Trifluoroacetic Acid SCHEMBL15476929 0.76 SLC6A3 (0.57) SLC6A2SLC6A3OPRK1HTR3AHTR3E
Fumaric Acid SCHEMBL747023 0.75 CHRNA7 (0.47) SLC6A2SLC6A3OPRK1DGAT1CHRNA7
SCHEMBL748372 0.73 KCNH2 (0.53) SLC6A2SLC6A3OPRK1DGAT1CHRNA7
SCHEMBL1022638 0.73 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CYP3A4CHRM2
SCHEMBL1022636 0.73 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CYP3A4CHRM2
SCHEMBL20540675 0.73 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CYP3A4CHRM2

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 SLC6A2 2602/4885SLC6A3 2587/4885OPRK1 825/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 SLC6A2 2602/4885SLC6A3 2587/4885OPRK1 825/4885

“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.