Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2204522

O=C(O)C(F)(F)F.c1ccc(C2(N3CCC3)CCC3(CCNCC3)CC2)cc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP2B6 P20813 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PRCP P42785 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2D6 P10635 4/20 0.45
CYP1A2 P05177 3/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
USP2 O75604 4/20 0.43
CYP2C19 P33261 3/20 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
SCHEMBL13333834 0.88 SIGMAR1 (0.57) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2202714 0.85 GRIN1 (0.62) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL17438515 0.80 SIGMAR1 (0.54) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2201445 0.79 SIGMAR1 (0.53) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2335867 0.76 GRIN1 (0.70) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2333446 0.75 OPRM1 (0.71) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL6023084 0.75 GRIN1 (0.73) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2204527 0.74 SIGMAR1 (0.38) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2201407 0.74 TSHR (0.45) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL30364176 0.74 SIGMAR1 (0.77) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN GRIN2D 1330/4885GRIN3B 930/4885CYP2B6 1379/4885

“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.