Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507111

Fc1ccc(CSc2c(Cl)ccc3c2CCNCC3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ KDM1A O60341 2/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MLNR O43193 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LTB4R Q15722 2/20 0.33
▸ PNMT P11086 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL10476317 0.93 HTR2C (0.40) HTR2CHTR2AHTR2BKDM1AMLNR
Trifluoroacetic Acid SCHEMBL10476275 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKDM1APNMT
SCHEMBL10228933 0.90 HTR2C (0.48) HTR2CHTR2AHTR2BMLNRCYP2D6
Trifluoroacetic Acid SCHEMBL507300 0.89 PTPRG (0.42) HTR2CHTR2AHTR2BKDM1ACYP2D6
Trifluoroacetic Acid SCHEMBL10476310 0.89 HTR2C (0.41) HTR2CHTR2AHTR2BKDM1AMLNR
Trifluoroacetic Acid SCHEMBL10476313 0.89 HTR2C (0.39) HTR2CHTR2AHTR2BKDM1AMAPT
Trifluoroacetic Acid SCHEMBL10476114 0.88 GFER (0.38) HTR2CHTR2AHTR2BKDM1AMAPT
Trifluoroacetic Acid SCHEMBL10476266 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BKDM1APNMT
Trifluoroacetic Acid SCHEMBL10476208 0.85 PTPRC (0.40) HTR2CHTR2AHTR2BKDM1A
SCHEMBL10476297 0.84 OPRD1 (0.35) HTR2CHTR2AHTR2BMLNRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTR2C 1/4885HTR2A 4/4885HTR2B 6/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2C 1/4885HTR2A 4/4885HTR2B 12/4885

“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.