Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4071872

COc1cccc(C2(C=O)CCNCC2)c1OC.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.36
NFE2L2 Q16236 2/20 0.35
DRD2 P14416 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
PDK2 Q15119 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL4076354 0.89 SIGMAR1 (0.49) SIGMAR1NFE2L2DRD2ALDH1A1USP2
SCHEMBL9650053 0.77 SIGMAR1 (0.60) SIGMAR1DRD2KMT2AUSP2CYP2D6
SCHEMBL7209323 0.77 HSD11B1 (0.47) GAADRD2ALDH1A1MEN1KMT2A
Formaldehyde SCHEMBL9556537 0.75 SIGMAR1 (0.43) SIGMAR1PKMGAANFE2L2DRD2
SCHEMBL4071874 0.75 SIGMAR1 (0.43) SIGMAR1PKMGAANFE2L2DRD2
SCHEMBL7620925 0.73 HSD11B1 (0.44) DRD2KMT2ATP53
Trifluoroacetic Acid SCHEMBL29579487 0.70 HTR2A (0.51) PKMDRD2ALDH1A1TP53
Trifluoroacetic Acid SCHEMBL22118447 0.70 HTR2A (0.51) PKMDRD2ALDH1A1TP53
Trifluoroacetic Acid SCHEMBL6251289 0.67 MAPKAPK2 (0.39) SIGMAR1PKMBACE1
SCHEMBL4597582 0.65 ALDH1A1 (0.34) PKMGAAALDH1A1MEN1KMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362589-B1 Use of R(+)-alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4- piperidinemethanol for the treatment of sleep disorders AVENTIS PHARMA INC (US) 2009-07-15 EP disclosed
EP-1937265-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20080139615-A1 COMBINATION OF A HYPNOTIC AGENT AND R (+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1289527-B1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL OR ITS PRODRUG TO TREAT DEMENTIA OR COGNITIVE IMPAIRMENT AVENTIS PHARMA INC (US) 2008-03-26 EP disclosed
WO-2007024599-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 WO disclosed
US-7132433-B2 Use of (+)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4- piperidinemethanol or its prodrug in the treatment of behavioral or psychological symptoms associated with a disease AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
US-20050272773-A1 Use of R (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-flurophenyl)-ethyl]-4- piperidinemethanol for the treatment of sleep disorders and process for making pharmaceutical composition AVENTIS PHARMACEUTICALS INC. (US) 2005-12-08 US disclosed
US-6939879-B2 Use of R (+)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol for the treatment of substance induced insomnia AVENTIS PHARMACEUTICALS INC. (US) 2005-09-06 US disclosed
US-20040204457-A1 Use of (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4- piperidinemethanol or its prodrug in the treatment of symptoms of dementia and dopamine induced psychosis AVENTIS PHARMACEUTICALS INC. 2004-10-14 US disclosed
US-20040002516-A1 Use of R (+)-alpha-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol for the treatment of sleep disorders AVENTIS PHARMACEUTICALS INC. 2004-01-01 US disclosed
US-5478846-A 1-piperidinyl alkanoylanyl sulfonamides for treatment of cardiac arrhythmia MERRELL DOW PHARMACEUTICALS INC. (US) 1995-12-26 US disclosed
WO-1995024194-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT2 ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-09-14 WO disclosed
EP-0531410-B1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL MERRELL DOW PHARMA (US) 1994-11-30 EP disclosed
EP-0532629-A4 1994-03-09 EP disclosed
EP-0531410-A4 (+)--G(A)-(2,3-DIMETHOXYPHENYL)-1- 2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL 1993-05-26 EP disclosed
EP-0532629-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
EP-0531410-A1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL. MERRELL DOW PHARMA (US) 1993-03-17 EP disclosed
US-5134149-A Serotonin antagonist MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
WO-1991018602-A1 (+)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed
WO-1991018603-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 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 (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-20040002516-A1 Use of R (+)-alpha-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol for the treatment of sleep disorders PNMT, HCRTR2, EBP SIGMAR1 308/4885PKM 3356/4885GAA 1710/4885
US-20050272773-A1 Use of R (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-flurophenyl)-ethyl]-4- piperidinemethanol for the treatment of sleep disorders and process for making pharmaceutical composition OPRD1, EBP, ADRA1D SIGMAR1 201/4885PKM 2124/4885GAA 2044/4885
US-20040204457-A1 Use of (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4- piperidinemethanol or its prodrug in the treatment of symptoms of dementia and dopamine induced psychosis COMT, PNMT, DBH SIGMAR1 340/4885PKM 848/4885GAA 527/4885
US-20080139615-A1 COMBINATION OF A HYPNOTIC AGENT AND R (+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF HCRTR2, OPRD1, HCRTR1 SIGMAR1 35/4885PKM 2919/4885GAA 2989/4885

“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.