Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4233307

N#Cc1ccc(OC2CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
HRH1 P35367 2/20 0.50
HRH3 Q9Y5N1 10/20 0.49
GPR119 Q8TDV5 1/20 0.47
MLNR O43193 1/20 0.42
KCNH2 Q12809 1/20 0.41

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 SCHEMBL23830498 0.88 EPHX2 (0.46) EPHX2HRH3GPR119
SCHEMBL187534 0.85 HRH3 (0.63) EPHX2HRH1HRH3KCNH2
Trifluoroacetic Acid SCHEMBL20958496 0.84 SLC6A4 (0.55) EPHX2HRH3GPR119KCNH2
Trifluoroacetic Acid SCHEMBL20958376 0.84 SLC6A4 (0.55) EPHX2HRH3GPR119KCNH2
Hydrochloric Acid SCHEMBL2705400 0.84 HRH3 (0.61) EPHX2HRH1HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2823895 0.83 HRH1 (0.53) EPHX2HRH1HRH3KCNH2
Trifluoroacetic Acid SCHEMBL4629826 0.81 PARP10 (0.60) EPHX2HRH1KCNH2
Trifluoroacetic Acid SCHEMBL6156463 0.81 PARP10 (0.60) EPHX2HRH1KCNH2
SCHEMBL18318183 0.81 HRH3 (0.58) HRH1HRH3
Trifluoroacetic Acid SCHEMBL4715454 0.77 SLC6A2 (0.52) HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands BEST DESMOND J 2006-03-09 US disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
EP-1554260-A1 ARYLOXYALKYLAMINE DERIVATIVES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 EPHX2 661/4885HRH1 3/4885HRH3 1/4885
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands HRH3, HTR6, HTR4 EPHX2 1014/4885HRH1 63/4885HRH3 1/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B EPHX2 894/4885HRH1 709/4885HRH3 512/4885

“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.