Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5407597

Cc1ccc(Nc2ccc(-c3ccc(OC4CN5CCC4CC5)cc3)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.53
LSS P48449 1/20 0.47
NTMT1 Q9BV86 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39

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
SCHEMBL5396665 0.89 CHRNA7 (0.64) CHRNA7LSSNTMT1CYP1A2CYP2D6
SCHEMBL13444725 0.82 CHRNA7 (0.71) CHRNA7LSSCYP1A2CYP2D6ALDH1A1
SCHEMBL5431557 0.81 CHRNA7 (0.53) CHRNA7LSSNTMT1CYP1A2CYP2D6
SCHEMBL5402646 0.80 CHRNA7 (0.49) CHRNA7LSSCHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL5412775 0.80 LSS (0.44) CHRNA7LSSCYP2D6CHRM2CHRM1
Fumaric Acid SCHEMBL5420562 0.79 CHRNA7 (0.50) CHRNA7LSSCYP2D6CHRM2CHRM1
Fumaric Acid SCHEMBL5420571 0.79 CHRNA7 (0.50) CHRNA7LSSCYP2D6CHRM2CHRM1
SCHEMBL3229549 0.79 CHRNA7 (0.68) CHRNA7LSSCYP1A2CYP2D6CHRM1
SCHEMBL3229552 0.79 CHRNA7 (0.68) CHRNA7LSSCYP1A2CYP2D6CHRM1
Trifluoroacetic Acid SCHEMBL1542298 0.77 PRKAG1 (0.43) CHRNA7LSS

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-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 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 (2 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 CHRNA7 1/4885LSS 2291/4885NTMT1 1622/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 CHRNA7 1/4885LSS 2291/4885NTMT1 1622/4885

“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.