Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6247355

CN1CN(c2ccccc2)C2(CCNCC2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
DRD2 P14416 5/20 0.50
DRD4 P21917 5/20 0.50
DRD3 P35462 5/20 0.50
HTR2A P28223 1/20 0.50
HSD17B10 Q99714 1/20 0.47
BDKRB2 P30411 1/20 0.45
ENPP2 Q13822 4/20 0.43
NPC1L1 Q9UHC9 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
CCR3 P51677 1/20 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
SCHEMBL3067132 0.90 OPRL1 (0.61) OPRM1OPRD1OPRK1OPRL1DRD2
Hydrochloric Acid SCHEMBL3231229 0.88 OPRL1 (0.60) OPRM1OPRD1OPRK1OPRL1DRD2
Hydrochloric Acid SCHEMBL9485290 0.88 OPRL1 (0.60) OPRM1OPRD1OPRK1OPRL1DRD2
Trifluoroacetic Acid SCHEMBL6246951 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1DRD2
Trifluoroacetic Acid SCHEMBL6249948 0.80 OPRK1 (0.57) OPRM1OPRD1OPRK1OPRL1HSD17B10
SCHEMBL11046981 0.79 DRD2 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL17149542 0.78 ENPP2 (0.47) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL20187016 0.77 HSD17B10 (0.57) OPRM1OPRD1OPRK1OPRL1HSD17B10
SCHEMBL17149460 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL11881266 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD2

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
EP-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 US disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 EP 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885

“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.