Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1597922

CN(c1cnc2cccnc2n1)C1CCCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
GPR6 P46095 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.32
AURKA O14965 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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 SCHEMBL1596720 0.92 DPP4 (0.36) DPP4DPP8DPP7GPR6CHRNB2
SCHEMBL1597911 0.76 SMN1; SMN2 (0.38) CHRNB2CHRNA4MEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL1597918 0.74 PRMT5 (0.40) DPP4DPP8DPP7GPR6TRPV1
SCHEMBL1597925 0.74 CXCR3 (0.36) DPP4DPP8DPP7CHRNB2CHRNA4
SCHEMBL6631143 0.68 CYP2D6 (0.38) CHRNB2CHRNA4MEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL1596718 0.68 PTPN11 (0.40) GPR6HCRTR1TRPV1
SCHEMBL1596809 0.66 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4MEN1KMT2A
SCHEMBL1596721 0.66 CXCR3 (0.37) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL1596890 0.65 NCF1 (0.49) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL1597744 0.65 NCF1 (0.49) MEN1NPC1ALDH1A1RAB9AKMT2A

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-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 DPP4 3918/4885DPP8 4406/4885DPP7 4720/4885

“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.