Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1931017

O=C(O)C(F)(F)F.O=C1c2cc(-c3ccc(Cl)cc3)cn2CCN1c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MCHR1 Q99705 4/20 0.44
KCNH2 Q12809 2/20 0.44
LTA4H P09960 3/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL12531977 0.92 LTA4H (0.52) HRH3HRH1MCHR1KCNH2LTA4H
Trifluoroacetic Acid SCHEMBL1929221 0.90 MCHR1 (0.46) MCHR1KCNH2HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL1930804 0.89 HTR2C (0.49) MCHR1KCNH2HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL1929462 0.88 MCHR1 (0.57) HRH3MCHR1KCNH2HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL1931015 0.88 HTR2C (0.57) MCHR1KCNH2HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL1928681 0.84 MCHR1 (0.56) HRH3MCHR1KCNH2HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL1931079 0.84 MCHR1 (0.52) HRH3MCHR1KCNH2HTR2AHTR2C
SCHEMBL12531999 0.81 HTR2C (0.51) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL4899236 0.80 HTR2C (0.56) MCHR1KCNH2HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL1929272 0.80 HTR2C (0.57) MCHR1KCNH2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 365/4885HRH1 232/4885MEN1 422/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 365/4885HRH1 232/4885MEN1 422/4885

“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.