Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1931079

COc1cc(N2CCn3cc(-c4ccc(Cl)cc4)cc3C2=O)ccc1OCCCN1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.52
KCNH2 Q12809 2/20 0.52
HTR2C P28335 8/20 0.49
HTR2A P28223 4/20 0.49
HTR2B P41595 4/20 0.46
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR5A P47898 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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 SCHEMBL1929462 0.96 MCHR1 (0.57) MCHR1KCNH2HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1931015 0.93 HTR2C (0.57) MCHR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL12532001 0.93 MCHR1 (0.57) MCHR1KCNH2HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1928681 0.92 MCHR1 (0.56) MCHR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL12531954 0.89 MCHR1 (0.62) MCHR1KCNH2HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1929272 0.89 HTR2C (0.57) MCHR1KCNH2HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1930599 0.88 MCHR1 (0.45) MCHR1KCNH2HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1929221 0.88 MCHR1 (0.46) MCHR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL12531994 0.85 HTR2C (0.65) MCHR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL12531960 0.85 MCHR1 (0.61) MCHR1KCNH2HTR2CHTR2AHTR2B

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 MCHR1 1/4885KCNH2 3122/4885HTR2C 87/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3122/4885HTR2C 87/4885

“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.