Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5632499

C=C[C@@H]1CNCCN1c1ccccc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
HTR2C P28335 11/20 0.36
HTR2B P41595 10/20 0.36
HTR2A P28223 7/20 0.36
BACE1 P56817 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
HTR6 P50406 1/20 0.34

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 SCHEMBL5632354 1.00 KDM1A (0.36) KDM1AHTR2CHTR2BHTR2ABACE1
SCHEMBL5633102 0.88 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6
SCHEMBL5631014 0.88 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6
SCHEMBL5632745 0.88 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6
Trifluoroacetic Acid SCHEMBL5631600 0.86 HTR2C (0.40) HTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL5734600 0.86 HTR2C (0.40) HTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL5732284 0.85 HTR2C (0.42) KDM1AHTR2CHTR2BHTR2ABACE1
Trifluoroacetic Acid SCHEMBL5633107 0.85 HTR2C (0.42) KDM1AHTR2CHTR2BHTR2ABACE1
Trifluoroacetic Acid SCHEMBL5631588 0.83 HTR2C (0.41) HTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL5732644 0.82 ALDH1A1 (0.37) HTR2CHTR2BHTR2ABACE1

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 KDM1A 1622/4885HTR2C 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.