Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL313396

N#Cc1c[nH]c2ccc(N(Cc3ccccc3)C3CCNCC3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.54
SLC6A2 P23975 16/20 0.54
SLC6A3 Q01959 16/20 0.54
NOS2 P35228 1/20 0.44
CYP2D6 P10635 2/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
PGR P06401 1/20 0.41
CYP2C9 P11712 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
SCHEMBL312704 0.92 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3NOS2CYP2D6
Trifluoroacetic Acid SCHEMBL313960 0.81 SLC6A2 (0.82) SLC6A4SLC6A2SLC6A3DCUN1D1
Trifluoroacetic Acid SCHEMBL312576 0.80 SLC6A2 (0.82) SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL312691 0.79 SLC6A2 (0.82) SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL312261 0.78 SLC6A2 (0.82) SLC6A4SLC6A2SLC6A3NOS2
Trifluoroacetic Acid SCHEMBL27823451 0.76 SLC6A2 (0.83) SLC6A4SLC6A2SLC6A3DCUN1D1
Trifluoroacetic Acid SCHEMBL312990 0.76 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3DCUN1D1
Trifluoroacetic Acid SCHEMBL313360 0.75 SLC6A2 (0.83) SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL312982 0.75 SLC6A2 (0.70) SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL313200 0.74 SLC6A2 (0.83) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
CN-101977904-A Aminopiperidinyl derivatives and uses thereof HOFFMANN LA ROCHE 2011-02-16 CN disclosed
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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 (1 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B SLC6A4 33/4885SLC6A2 8/4885SLC6A3 28/4885

“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.