Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2963867

CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cn2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.88
SLC6A4 P31645 3/20 0.51
SCN9A Q15858 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3057575 0.94 HRH3 (1.00) HRH3SLC6A4SCN9ASLC6A2SLC6A3
SCHEMBL3057572 0.90 HRH3 (0.92) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2973530 0.84 HRH3 (0.88) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2976360 0.83 HRH3 (0.83) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2975228 0.80 HRH3 (0.56) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2970106 0.78 HRH3 (0.55) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2976405 0.78 HRH3 (0.55) HRH3SLC6A4SCN9ASLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL2976374 0.78 HRH3 (0.76) HRH3SLC6A4SCN9AKCNH2
SCHEMBL2962103 0.77 HRH3 (1.00) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2964695 0.77 HRH3 (1.00) HRH3SLC6A4SCN9ASLC6A2SLC6A3

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-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-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 (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-20150087635-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SCN9A 2227/4885
US-20070281923-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SCN9A 2227/4885
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885SLC6A4 639/4885SCN9A 2227/4885

“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.