Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2081063

C1=C(c2cncc(-c3ccccc3)c2)C2CNCC1C2.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.51
CHRNB2 P17787 11/20 0.51
CHRNA3 P32297 11/20 0.51
CHRNB4 P30926 10/20 0.51
CHRNA4 P43681 10/20 0.51
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHRNB3 Q05901 3/20 0.38
CHRNA6 Q15825 3/20 0.38
FDPS P14324 1/20 0.36

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
SCHEMBL2081828 0.89 CHRNA3 (0.61) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
Trifluoroacetic Acid SCHEMBL2080560 0.86 CHRNB2 (0.55) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
Trifluoroacetic Acid SCHEMBL2081583 0.80 CHRNB2 (0.53) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2081201 0.74 CHRNB2 (0.65) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2080911 0.74 CHRNB4 (0.59) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL2081276 0.73 CHRNB4 (0.58) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2082397 0.72 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2083087 0.70 CHRNB2 (0.52) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2083084 0.70 CHRNB2 (0.52) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4
SCHEMBL2080879 0.69 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA3CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897611-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2011-03-01 US disclosed
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-07-15 US disclosed
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-06-17 US disclosed
EP-1678172-B1 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-12-09 EP disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
EP-1678172-A2 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2006-07-12 EP disclosed
WO-2005037832-A9 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS 2006-01-26 WO disclosed
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US disclosed
WO-2005037832-A2 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-04-28 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-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders OPRL1, OPRK1, COMT CHRNA7 53/4885CHRNB2 25/4885CHRNA3 44/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA7 53/4885CHRNB2 25/4885CHRNA3 44/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA7 53/4885CHRNB2 25/4885CHRNA3 44/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT CHRNA7 53/4885CHRNB2 25/4885CHRNA3 44/4885

“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.