SCHEMBL5175148

SCHEMBL5175148

O=C(COc1ccc(OCCN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.73
PSMB1 P20618 6/20 0.71
PSMB5 P28074 5/20 0.71
PSMB2 P49721 3/20 0.66
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.62
ESR1 P03372 2/20 0.62
HRH4 Q9H3N8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL5943688 0.87 HRH3 (0.61) LTA4HPSMB1PSMB5KDM4EALDH1A1
SCHEMBL13305534 0.86 LTA4H (0.97) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL28380360 0.85 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL10685703 0.84 LTA4H (0.70) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL10676277 0.83 LTA4H (0.71) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL5175879 0.82 PSMB1 (0.67) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL5175884 0.82 PSMB1 (0.67) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL2741667 0.81 PSMB1 (0.80) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL1027972 0.81 PSMB1 (0.80) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL3951411 0.81 LTA4H (0.83) LTA4HPSMB1PSMB5PSMB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 EP claimed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 EP disclosed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S LTA4H 1/4885PSMB1 1580/4885PSMB5 1646/4885

“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.