Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL724094

O=C(Nc1ccncc1)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.58
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
TP53 P04637 3/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 7/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
L3MBTL3 Q96JM7 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL725039 0.93 MAPT (0.57) SMN1; SMN2RAB9ANPC1TP53ALOX15
SCHEMBL18502050 0.77 MAPT (0.61) SMN1; SMN2RAB9ANPC1TP53ALOX15
SCHEMBL1420533 0.75 TRPV4 (0.57) SMN1; SMN2RAB9ANPC1TP53ALOX15
SCHEMBL724095 0.74 L3MBTL3 (0.49) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL4237552 0.73 L3MBTL3 (0.71) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
Trifluoroacetic Acid SCHEMBL6986818 0.73 CHKA (0.63) SLC2A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL14528874 0.72 L3MBTL3 (0.66) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL1420117 0.72 LMNA (0.49) SMN1; SMN2RAB9ANPC1TP53HTT
Hydrochloric Acid SCHEMBL722840 0.72 L3MBTL3 (0.69) ALOX15L3MBTL1L3MBTL3MBTD1TP53BP1
SCHEMBL846069 0.72 TRPV1 (0.61) SMN1; SMN2RAB9ANPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US claimed
CN-1902177-A Novel piperidine derivative BANYU PHARMA CO LTD (JP) 2007-01-24 CN claimed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP claimed
EP-1669350-B1 PIPERIDINE DERIVATIVES MSD KK (JP) 2012-02-29 EP disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-7547693-B2 Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-06-16 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
CN-1902177-A Novel piperidine derivative BANYU PHARMA CO LTD (JP) 2007-01-24 CN disclosed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 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 (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-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 SLC2A1 663/4885SMN1; SMN2 226/4885RAB9A 921/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 SLC2A1 606/4885SMN1; SMN2 225/4885RAB9A 765/4885

“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.