Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2369376

O=C(NCCSc1c(Cl)ccc2c1CCNCC2)C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
IDO1 P14902 1/20 0.33
PARP1 P09874 1/20 0.32
KDM1A O60341 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP2C19 P33261 2/20 0.32
SLC6A3 Q01959 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL10277981 0.93 GFER (0.42) GFERHTR2AHTR2CHTR2BIDO1
Trifluoroacetic Acid SCHEMBL507611 0.83 HTR2A (0.34) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL507959 0.82 RAB9A (0.36) HTR2AHTR2CHTR2BPARP1CYP1A2
Trifluoroacetic Acid SCHEMBL507230 0.81 GFER (0.36) GFERCDK4CDK2CDK5IDO1
Trifluoroacetic Acid SCHEMBL507852 0.79 TBXA2R (0.40) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL507752 0.79 KMT2A (0.37) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL2369383 0.78 GFER (0.34) GFERHTR2CIDO1
Trifluoroacetic Acid SCHEMBL2369816 0.78 NAMPT (0.39) SLC6A3EPHX2
Trifluoroacetic Acid SCHEMBL506658 0.78 PKM (0.38) CYP1A2CYP2D6CYP2C9CYP2C19SLC6A3
Trifluoroacetic Acid SCHEMBL507818 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1A

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
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 GFER 3009/4885HTR2A 4/4885HTR2C 1/4885

“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.