Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL737995

N#CC1(Cc2ccccc2)CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HRH3 Q9Y5N1 5/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.48
CACNA1B Q00975 2/20 0.48
NPY1R P25929 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
MAOB P27338 1/20 0.45

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 SCHEMBL738424 0.86 HRH3 (0.52) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL735635 0.82 HRH3 (0.57) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL736519 0.81 HRH3 (0.55) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL3573078 0.78 HRH1 (0.58) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL737246 0.77 HRH3 (0.67) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL738381 0.77 HRH3 (0.61) HRH3KCNH2ALDH1A1HTT
Trifluoroacetic Acid SCHEMBL737065 0.77 CACNA1B (0.53) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL736467 0.77 CACNA1B (0.49) SMN1; SMN2NPC1RAB9AHRH3KCNH2
Trifluoroacetic Acid SCHEMBL737443 0.76 HRH3 (0.60) HRH3KCNH2KDM4EALDH1A1CACNA1B
Trifluoroacetic Acid SCHEMBL736504 0.75 HRH3 (0.51) SMN1; SMN2NPC1RAB9AHRH3KCNH2

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
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US claimed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US claimed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP claimed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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 (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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SMN1; SMN2 4135/4885NPC1 3252/4885RAB9A 2876/4885

“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.