SCHEMBL4182249

SCHEMBL4182249

Fc1ccccc1OCCN1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.61
DRD2 P14416 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGS2 P35354 1/20 0.55
DRD1 P21728 1/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CACNA1B Q00975 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
S1PR5 Q9H228 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
SCHEMBL4183852 0.96 DRD2 (0.60) LTA4HDRD2L3MBTL1PTGS2DRD1
SCHEMBL4173098 0.87 LTA4H (0.59) LTA4HDRD2L3MBTL1PTGS2DRD1
SCHEMBL4182932 0.86 KDM4E (0.62) LTA4HDRD2L3MBTL1PTGS2KDM4E
SCHEMBL4174980 0.86 LTA4H (0.71) LTA4HDRD2L3MBTL1PTGS2DRD1
SCHEMBL13698799 0.84 KDM4E (0.69) LTA4HDRD2L3MBTL1DRD1DRD3
SCHEMBL4185349 0.84 LTA4H (0.55) LTA4HDRD2L3MBTL1DRD1DRD3
SCHEMBL4184816 0.83 KDM4E (0.59) LTA4HDRD2L3MBTL1KDM4EMEN1
Hydrochloric Acid SCHEMBL1728657 0.83 KDM4E (0.67) LTA4HL3MBTL1DRD1DRD3KDM4E
SCHEMBL4188794 0.82 LTA4H (0.66) LTA4HDRD2L3MBTL1DRD1DRD3
SCHEMBL1730238 0.82 L3MBTL1 (0.52) LTA4HL3MBTL1PTGS2KDM4EMEN1

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 2891/4885DRD2 61/4885L3MBTL1 2175/4885

“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.