Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2340751

O=C(O)C(F)(F)F.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.58
MET P08581 5/20 0.53
HRH3 Q9Y5N1 7/20 0.52
ATR Q13535 1/20 0.51
PDK2 Q15119 1/20 0.46
KCNH2 Q12809 1/20 0.46
IKBKB O14920 2/20 0.46

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 SCHEMBL2340746 1.00 ALK (0.58) ALKMETHRH3ATRPDK2
SCHEMBL2344605 0.94 MET (0.58) ALKMETHRH3ATRKCNH2
SCHEMBL2344607 0.94 MET (0.58) ALKMETHRH3ATRKCNH2
Trifluoroacetic Acid SCHEMBL2348665 0.87 ALK (0.50) ALKMETHRH3KCNH2
Trifluoroacetic Acid SCHEMBL2348669 0.87 ALK (0.50) ALKMETHRH3KCNH2
Trifluoroacetic Acid SCHEMBL2344640 0.86 HRH3 (0.62) ALKMETHRH3ATRKCNH2
Trifluoroacetic Acid SCHEMBL2344639 0.86 HRH3 (0.62) ALKMETHRH3ATRKCNH2
SCHEMBL2345865 0.85 MET (0.60) ALKMETHRH3ATRPDK2
SCHEMBL2345863 0.85 MET (0.60) ALKMETHRH3ATRPDK2
SCHEMBL2344330 0.83 HRH3 (0.65) ALKMETHRH3ATRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4777974-B2 2011-09-21 JP claimed
EP-1735278-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-06 EP claimed
JP-2007530698-A 2007-11-01 JP claimed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 US claimed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 WO claimed
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 US disclosed
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 US disclosed
EP-1735278-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-06 EP disclosed
US-7632857-B2 (3-Fluoro-4'-methanesulfonyl-biphenyl-4-yl)-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone; treatment of obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2009-12-15 US disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 US disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 WO 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-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 ALK 976/4885MET 725/4885HRH3 1/4885
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 ALK 976/4885MET 725/4885HRH3 1/4885

“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.