Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1542595

Cn1ccc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.56
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
HSD11B1 P28845 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NTMT1 Q9BV86 1/20 0.34

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
SCHEMBL1542405 0.91 CHRNA7 (0.66) CHRNA7NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL1542406 0.91 CHRNA7 (0.66) CHRNA7NPC1RAB9ASMN1; SMN2CHRM2
Trifluoroacetic Acid SCHEMBL3182857 0.85 CHRNA7 (0.61) CHRNA7CHRM2CHRM1CHRM3CHRM4
Trifluoroacetic Acid SCHEMBL3180075 0.82 CHRNA7 (0.62) CHRNA7CHRM2CHRM1CHRM3CHRM4
Trifluoroacetic Acid SCHEMBL3183006 0.82 CHRNA7 (0.57) CHRNA7CHRM2CHRM1CHRM3CHRM4
Trifluoroacetic Acid SCHEMBL3189348 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
Trifluoroacetic Acid SCHEMBL3187879 0.81 CHRNA7 (0.72) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3190453 0.81 CHRNA7 (0.56) CHRNA7CHRM2CHRM1CHRM3CHRM4
Trifluoroacetic Acid SCHEMBL3187996 0.81 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4HTR3A
Trifluoroacetic Acid SCHEMBL745728 0.81 NPC1 (0.38) CHRNA7NPC1RAB9ASMN1; SMN2HSD11B1

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
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 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 (4 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-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885NPC1 757/4885RAB9A 807/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885NPC1 2803/4885RAB9A 847/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885NPC1 757/4885RAB9A 807/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 CHRNA7 1/4885NPC1 379/4885RAB9A 1943/4885

“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.