Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL736504

O=C(O)C(F)(F)F.OC1(c2cccnc2)CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.51
KCNH2 Q12809 1/20 0.50
HRH1 P35367 1/20 0.47
CACNA1B Q00975 2/20 0.46
CCR1 P32246 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL736505 0.86 HRH3 (0.48) HRH3KCNH2HRH1ALDH1A1
Trifluoroacetic Acid SCHEMBL738381 0.84 HRH3 (0.61) HRH3KCNH2HRH1ALDH1A1
Trifluoroacetic Acid SCHEMBL735635 0.84 HRH3 (0.57) HRH3KCNH2HRH1CACNA1BKDM4E
Trifluoroacetic Acid SCHEMBL737443 0.84 HRH3 (0.60) HRH3KCNH2HRH1CACNA1BCCR1
Trifluoroacetic Acid SCHEMBL735794 0.83 ALDH1A1 (0.56) HRH3KCNH2CACNA1BKDM4EALDH1A1
SCHEMBL738421 0.83 HRH3 (0.70) HRH3KCNH2HRH1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL736519 0.83 HRH3 (0.55) HRH3KCNH2HRH1CACNA1BKDM4E
Trifluoroacetic Acid SCHEMBL738424 0.80 HRH3 (0.52) HRH3KCNH2HRH1CACNA1BKDM4E
Trifluoroacetic Acid SCHEMBL736529 0.80 HRH3 (0.45) HRH3KCNH2HRH1CACNA1BKDM4E
Trifluoroacetic Acid SCHEMBL737995 0.75 SMN1; SMN2 (0.51) HRH3KCNH2CACNA1BKDM4EALDH1A1

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 HRH3 2/4885KCNH2 308/4885HRH1 3/4885

“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.