Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2976374

Cc1cc(Oc2cccc(C(=O)N3CCCN(C(C)C)CC3)n2)ccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.76
SCN9A Q15858 5/20 0.47
SLC6A4 P31645 3/20 0.43
SCN7A Q01118 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 1/20 0.39
GPR6 P46095 1/20 0.39

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
SCHEMBL3073697 0.94 HRH3 (0.86) HRH3SCN9ASLC6A4
SCHEMBL2964695 0.87 HRH3 (1.00) HRH3SCN9ASLC6A4
Trifluoroacetic Acid SCHEMBL2961996 0.86 HRH3 (0.75) HRH3SCN9AKCNH2
Trifluoroacetic Acid SCHEMBL2977741 0.85 HRH3 (0.75) HRH3SCN9AKCNH2
SCHEMBL2970126 0.83 HRH3 (0.92) HRH3SCN9ASLC6A4SCN7AKCNH2
SCHEMBL3068396 0.79 HRH3 (0.84) HRH3SLC6A4KCNH2
SCHEMBL3074289 0.78 HRH3 (0.84) HRH3SCN9AKCNH2
Trifluoroacetic Acid SCHEMBL2963867 0.78 HRH3 (0.88) HRH3SCN9ASLC6A4KCNH2
SCHEMBL2971558 0.76 HRH3 (0.86) HRH3SLC6A4KCNH2
Trifluoroacetic Acid SCHEMBL2975228 0.73 HRH3 (0.56) HRH3SCN9ASLC6A4

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-9321729-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2016-04-26 US disclosed
EP-2032536-B1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-20150087635-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-8940731-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2015-01-27 US disclosed
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
US-8637520-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 US disclosed
US-7777031-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-08-17 US disclosed
US-20070281923-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 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 (4 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-20150087635-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SCN9A 2227/4885SLC6A4 639/4885
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SCN9A 2227/4885SLC6A4 639/4885
US-20070281923-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SCN9A 2227/4885SLC6A4 639/4885
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SCN9A 2227/4885SLC6A4 639/4885

“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.