Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4762245

CCCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(C(C)(C)C)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 2/20 0.36
DRD2 P14416 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
FFAR1 O14842 1/20 0.34
TACR1 P25103 2/20 0.34
TACR3 P29371 2/20 0.34
OPRM1 P35372 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
SCHEMBL4890372 0.95 P2RY1 (0.37) P2RY1HDAC1HDAC6EPHX2DRD2
Trifluoroacetic Acid SCHEMBL4761896 0.93 OPRM1 (0.36) P2RY1HDAC1HDAC6EPHX2SLC18A3
SCHEMBL4893251 0.89 P2RY1 (0.36) P2RY1HDAC1HDAC6EPHX2SLC18A3
Trifluoroacetic Acid SCHEMBL4881007 0.87 OPRK1 (0.37) HDAC1HDAC6DRD2SLC18A3SIGMAR1
SCHEMBL5578587 0.86 SIGMAR1 (0.36) P2RY1HDAC1HDAC6EPHX2SLC18A3
SCHEMBL4821789 0.85 P2RY1 (0.39) P2RY1HDAC1HDAC6EPHX2
SCHEMBL4759951 0.83 SLC18A3 (0.39) HDAC1HDAC6DRD2SLC18A3SIGMAR1
SCHEMBL5579105 0.82 OPRM1 (0.42) P2RY1SIGMAR1OPRM1
SCHEMBL4893344 0.81 OPRM1 (0.41) HDAC1HDAC6EPHX2SIGMAR1FFAR1
SCHEMBL4761770 0.81 EPHX2 (0.43) EPHX2DRD2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
EP-1899339-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4 -PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2007002114-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4’-PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL ARENA PHARMACEUTICALS, INC. (US) 2007-01-04 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 (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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel AGTR1, AGTR2, AVPR2 P2RY1 205/4885HDAC1 418/4885HDAC6 835/4885

“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.