SCHEMBL4174980

SCHEMBL4174980

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.71
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
DRD2 P14416 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD3 P35462 2/20 0.54
DRD1 P21728 1/20 0.54
PSMB1 P20618 2/20 0.54
PSMB5 P28074 2/20 0.54
PSMB2 P49721 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
KCNA5 P22460 1/20 0.53
CACNA1G O43497 1/20 0.53
HTR1A P08908 1/20 0.52

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
SCHEMBL4188794 0.96 LTA4H (0.66) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL1730306 0.88 LTA4H (0.77) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL4173098 0.87 LTA4H (0.59) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL4181640 0.86 LTA4H (0.71) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL4182249 0.86 LTA4H (0.61) LTA4HALDH1A1DRD2L3MBTL1KDM4E
SCHEMBL14970712 0.86 LTA4H (0.88) LTA4HKDM4EMEN1KMT2APSMB1
Hydrochloric Acid SCHEMBL14966268 0.84 LTA4H (0.86) LTA4HKDM4EMEN1KMT2APSMB1
SCHEMBL4185349 0.84 LTA4H (0.55) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL13698800 0.83 USP2 (0.73) LTA4HUSP2ALDH1A1HPGDDRD2
SCHEMBL24529993 0.83 LTA4H (0.69) LTA4HALDH1A1DRD2L3MBTL1KDM4E

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 2891/4885USP2 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.