SCHEMBL1730306

SCHEMBL1730306

Fc1ccc(OCCN2CCN(CCOc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.77
USP2 O75604 1/20 0.70
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
HRH3 Q9Y5N1 2/20 0.65
HTR1A P08908 4/20 0.62
DRD2 P14416 4/20 0.62
HTR2A P28223 4/20 0.62
DRD3 P35462 4/20 0.62
HRH1 P35367 3/20 0.62
SIGMAR1 Q99720 2/20 0.62
TMEM97 Q5BJF2 1/20 0.62
DRD1 P21728 3/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
DRD5 P21918 2/20 0.59

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
SCHEMBL13698800 0.94 USP2 (0.73) LTA4HUSP2ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL1730768 0.93 USP2 (0.71) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL15679705 0.93 USP2 (0.82) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL5568615 0.91 LTA4H (0.67) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL13698801 0.91 LTA4H (0.87) LTA4HMEN1LMNAHTTKMT2A
SCHEMBL1728918 0.90 USP2 (0.78) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL4174980 0.88 LTA4H (0.71) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL1730302 0.88 LTA4H (0.63) LTA4HUSP2ALDH1A1HPGDMEN1
SCHEMBL19560190 0.88 LTA4H (0.67) LTA4HUSP2ALDH1A1LMNAHRH3
SCHEMBL1730763 0.88 LTA4H (0.67) LTA4HUSP2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP disclosed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US disclosed
EP-1988902-A4 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-05-06 EP disclosed
EP-1988902-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-11-12 EP disclosed
WO-2007097871-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-30 WO 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 2891/4885USP2 3002/4885ALDH1A1 305/4885

“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.