SCHEMBL4173098

SCHEMBL4173098

Fc1ccc(OCCN2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.59
DRD2 P14416 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 1/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4185349 0.96 LTA4H (0.55) LTA4HDRD2L3MBTL1DRD1DRD3
SCHEMBL4182249 0.87 LTA4H (0.61) LTA4HDRD2L3MBTL1PTGS2DRD1
SCHEMBL4177226 0.87 LTA4H (0.58) LTA4HDRD2L3MBTL1KDM1AKDM4E
SCHEMBL4174980 0.87 LTA4H (0.71) LTA4HDRD2L3MBTL1PTGS2MCHR1
SCHEMBL4183852 0.84 DRD2 (0.60) LTA4HDRD2L3MBTL1PTGS2DRD1
SCHEMBL4182228 0.84 LTA4H (0.55) LTA4HDRD2L3MBTL1KDM4EHRH3
SCHEMBL4188794 0.83 LTA4H (0.66) LTA4HDRD2L3MBTL1DRD1DRD3
SCHEMBL1728913 0.82 HRH3 (0.51) LTA4HKCNH2KDM1AHRH3
SCHEMBL1730234 0.82 EPAS1 (0.47) LTA4HDRD2L3MBTL1KCNH2MAPK14
SCHEMBL1730942 0.80 EPAS1 (0.45) LTA4HDRD2L3MBTL1KCNH2DRD1

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.