SCHEMBL4182228

SCHEMBL4182228

Fc1ccc(OCCN2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
EPHX2 P34913 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
ABCB1 P08183 3/20 0.47
DRD2 P14416 3/20 0.47
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4177226 0.97 LTA4H (0.58) LTA4HLMNAHTTKDM4EALDH1A1
SCHEMBL4184816 0.91 KDM4E (0.59) LTA4HLMNAHTTKDM4EALDH1A1
SCHEMBL4185349 0.88 LTA4H (0.55) LTA4HLMNAHTTALDH1A1KMT2A
SCHEMBL4182932 0.88 KDM4E (0.62) LTA4HLMNAHTTKDM4EALDH1A1
SCHEMBL4177277 0.88 LTA4H (0.67) LTA4HLMNAHTTKDM4EALDH1A1
SCHEMBL4173098 0.84 LTA4H (0.59) LTA4HKDM4EALDH1A1HRH3L3MBTL1
SCHEMBL4181640 0.84 LTA4H (0.71) LTA4HLMNAHTTKDM4EALDH1A1
SCHEMBL1728667 0.83 HTR1A (0.45) EPHX2L3MBTL1HTR1AHTR7DRD2
SCHEMBL4178466 0.82 HRH1 (0.50) LMNAHTTKDM4EKMT2AHRH3
SCHEMBL1730296 0.80 HTR1A (0.46) LMNAHTTKDM4EEPHX2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US claimed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 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 (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-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 LTA4H 2891/4885LMNA 3325/4885HTT 3102/4885

“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.