Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4978283

O=C(O)C(Cc1cscn1)CN1CCC2(CC1)OCc1cc(F)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.68
AVPR1A P37288 2/20 0.36
MCHR1 Q99705 5/20 0.35
KCNH2 Q12809 4/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL4982623 0.96 OPRL1 (0.73) OPRL1AVPR1AMCHR1KCNH2S1PR5
Trifluoroacetic Acid SCHEMBL4981881 0.94 OPRL1 (0.77) OPRL1AVPR1AMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL4975812 0.92 OPRL1 (0.60) OPRL1
SCHEMBL4977721 0.90 OPRL1 (0.82) OPRL1AVPR1AMCHR1KCNH2
Trifluoroacetic Acid SCHEMBL4976084 0.89 OPRL1 (0.62) OPRL1AVPR1A
SCHEMBL4978295 0.88 OPRL1 (0.65) OPRL1AVPR1AMCHR1KCNH2S1PR5
Trifluoroacetic Acid SCHEMBL4983332 0.88 OPRL1 (0.65) OPRL1
SCHEMBL4980241 0.88 OPRL1 (0.64) OPRL1
SCHEMBL4976266 0.87 OPRL1 (0.89) OPRL1MCHR1
SCHEMBL4980532 0.86 OPRL1 (0.69) OPRL1AVPR1AMCHR1KCNH2S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 OPRL1 1/4885AVPR1A 609/4885MCHR1 541/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 OPRL1 1/4885AVPR1A 476/4885MCHR1 1007/4885

“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.