SCHEMBL2879689

SCHEMBL2879689

FC(F)(F)c1ccc(Oc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.66
ADRB1 P08588 5/20 0.56
HTR3A P46098 5/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
SIGMAR1 Q99720 4/20 0.56
MAOB P27338 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2C P28335 1/20 0.54
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
SCN9A Q15858 2/20 0.47
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
SCN7A Q01118 1/20 0.47
KCNH2 Q12809 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
SCHEMBL233850 0.90 ADRB1 (0.67) LTA4HADRB1HTR3AHTR3EHTR3B
SCHEMBL7178620 0.90 ADRB1 (0.67) LTA4HADRB1HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL29882384 0.88 MAPT (0.65) LTA4HADRB1HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL2961970 0.88 MAPT (0.65) LTA4HADRB1HTR3AHTR3EHTR3B
SCHEMBL7474849 0.85 ADRB1 (0.61) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL5239716 0.83 ADRB1 (0.59) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL381355 0.83 PRMT5 (0.58) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL19597620 0.81 LTA4H (0.72) LTA4HADRB1HTR3AHTR3EHTR3B
SCHEMBL2156502 0.80 LTA4H (1.00) LTA4HADRB1HTR3AHTR3EHTR3B
SCHEMBL30567165 0.79 ADRB1 (0.57) ADRB1HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
US-7750012-B2 Biaryl nitrogen-heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-07-06 US disclosed
EP-1968961-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-17 EP disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
WO-2007078335-A2 BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF. (IS) 2007-07-12 WO disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 US disclosed
US-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-28 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-20070149544-A1 BIARYL NITROGEN-HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R LTA4H 1/4885ADRB1 1432/4885HTR3A 1144/4885

“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.