SCHEMBL4181640

SCHEMBL4181640

Fc1ccc(OCCN2CCN(CCOc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.71
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.63
HRH3 Q9Y5N1 1/20 0.62
DRD2 P14416 5/20 0.57
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCHR1 Q99705 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL4177277 0.96 LTA4H (0.67) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL13150800 0.91 LMNA (0.74) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL4177226 0.87 LTA4H (0.58) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL4182932 0.86 KDM4E (0.62) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL4174980 0.86 LTA4H (0.71) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL14970473 0.85 LTA4H (0.81) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL11244902 0.85 LTA4H (0.81) LTA4HLMNAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14969107 0.84 LTA4H (0.79) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL4182228 0.84 LTA4H (0.55) LTA4HLMNAHTTALDH1A1KDM4E
SCHEMBL4184816 0.83 KDM4E (0.59) LTA4HLMNAHTTALDH1A1KDM4E

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.