Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5632699

C=C[C@@H]1CNCCN1c1ccc(C(C)C)cc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
DPP4 P27487 10/20 0.35
DPP7 Q9UHL4 10/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CRHR1 P34998 1/20 0.34
DPP9 Q86TI2 4/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 2/20 0.32
DPP8 Q6V1X1 3/20 0.31

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 SCHEMBL27649809 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL5631921 0.90 HTR2C (0.35) HTR2AHTR2CHTR2BCRHR1
SCHEMBL5632766 0.90 HTR2C (0.35) HTR2AHTR2CHTR2BCRHR1
SCHEMBL5631917 0.90 HTR2C (0.35) HTR2AHTR2CHTR2BCRHR1
Trifluoroacetic Acid SCHEMBL5633107 0.85 HTR2C (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5732284 0.85 HTR2C (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL5631132 0.85 HTR2C (0.35) HTR2AHTR2CHTR2BCRHR1
Trifluoroacetic Acid SCHEMBL5630462 0.82 ALDH1A1 (0.37) HTR2AHTR2CHTR2BALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5732644 0.82 ALDH1A1 (0.37) HTR2AHTR2CHTR2BALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5632499 0.82 KDM1A (0.36) HTR2AHTR2CHTR2BBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 WO 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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A HTR2A 2/4885HTR2C 1/4885HTR2B 4/4885

“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.