Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6458250

COc1ccc(CN[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1Br.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 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.47
ADRA2A P08913 10/20 0.47
HTR2B P41595 6/20 0.47
ADRA1A P35348 4/20 0.47
HTR1A P08908 1/20 0.47
HRH1 P35367 5/20 0.47
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPY5R Q15761 2/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6875844 0.84 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875836 0.84 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6456690 0.82 MCHR1 (0.64) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6456977 0.81 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875998 0.76 MCHR1 (0.63) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875990 0.76 MCHR1 (0.63) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6874488 0.76 MCHR1 (0.53) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6874493 0.76 MCHR1 (0.53) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6464429 0.75 TSHR (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6877606 0.75 TSHR (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885HTR2B 22/4885

“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.