Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5073700

CNCCc1ccccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.70
HIF1A Q16665 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
CNR1 P21554 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
NPC1 O15118 1/20 0.42

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 SCHEMBL30133669 0.88 TAAR1 (0.53) TAAR1HIF1ATRPV1CYP1A2CYP3A4
SCHEMBL680414 0.83 TAAR1 (1.00) TAAR1HIF1ACNR1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL5073688 0.82 HIF1A (0.48) TAAR1HIF1ATRPV1PLAAT3PLAAT5
Formic Acid SCHEMBL5071553 0.81 TAAR1 (0.79) TAAR1HIF1APLAAT3PLAAT5PLAAT2
Trifluoroacetic Acid SCHEMBL5942180 0.80 HIF1A (0.46) TAAR1HIF1ATRPV1PLAAT3PLAAT5
Trifluoroacetic Acid SCHEMBL5941732 0.80 TAAR1 (0.67) TAAR1HIF1ATRPV1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5071538 0.79 MTNR1A (0.58) TAAR1CNR1KMT2A
Trifluoroacetic Acid SCHEMBL5942173 0.79 RXFP1 (0.58) TAAR1HIF1ATRPV1PLAAT3PLAAT5
SCHEMBL5941728 0.78 TRPV1 (0.58) TAAR1HIF1ATRPV1PLAAT3PLAAT5
Trifluoroacetic Acid SCHEMBL5941843 0.77 TAAR1 (0.53) TAAR1HIF1ATRPV1PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (3 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE TAAR1 1785/4885HIF1A 2021/4885TRPV1 2696/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE TAAR1 1785/4885HIF1A 2021/4885TRPV1 2696/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 TAAR1 1467/4885HIF1A 4008/4885TRPV1 129/4885

“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.