Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4617756

C1CCN(CCC2CCNC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
ARG1 P05089 1/20 0.39
CHRM3 P20309 4/20 0.36
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
ITGA2 P17301 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 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
SCHEMBL7462427 0.85 CYP1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL18497445 0.82 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL29261408 0.81 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL42348 0.78 GNAO1 (0.49) ITGB3ITGA2BF2RCYP1A2
SCHEMBL9673816 0.77 CYP1A2 (0.42) CYP1A2KMT2ACPN1CPB2
SCHEMBL9676384 0.77 CYP1A2 (0.42) CYP1A2KMT2ACPN1CPB2
Hydrochloric Acid SCHEMBL4424002 0.77 GNAO1 (0.51) CHRM3CHRM2CHRM1CYP1A2
SCHEMBL640737 0.77 GNAO1 (0.50) ITGB3ITGA2BCYP1A2
Trifluoroacetic Acid SCHEMBL3451505 0.76 SLC6A1 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL10917426 0.75 GNAO1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890697-B1 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA LLC (US) 2015-03-04 EP disclosed
CN-101212969-B Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY 2013-08-07 CN disclosed
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 US disclosed
CN-101212969-A Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY (US) 2008-07-02 CN disclosed
EP-1890697-A2 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA, INC. (US) 2008-02-27 EP disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 US disclosed
WO-2006133242-A2 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA, INC. (US) 2006-12-14 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 (1 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-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders HTR3C, HTR3A, AZI2 SLC6A1 2287/4885GABRA5 428/4885GABRB2 1596/4885

“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.