SCHEMBL4324946

SCHEMBL4324946

c1ccc(Cc2ccc(O[C@@H]3CCNC3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.82
LTA4H P09960 5/20 0.52
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
PRKCZ Q05513 1/20 0.46
HTR1A P08908 1/20 0.44

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
SCHEMBL13703549 1.00 HRH1 (0.82) HRH1LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL4324950 1.00 HRH1 (0.82) HRH1LTA4HSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4328367 0.98 HRH1 (0.80) HRH1LTA4HSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4328357 0.98 HRH1 (0.80) HRH1LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL14578145 0.94 HRH1 (0.71) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL24437475 0.90 HRH1 (1.00) HRH1LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL19724789 0.87 HRH1 (0.62) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23475145 0.85 HRH1 (0.60) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14828522 0.85 HRH1 (0.78) HRH1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2523551 0.85 HRH1 (0.78) HRH1SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-09-17 US disclosed
US-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-09-17 US disclosed
US-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-09-17 US disclosed
US-7576102-B2 Biaryl substituted nitrogen containing heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2009-08-18 US disclosed
US-7576102-B2 Biaryl substituted nitrogen containing heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2009-08-18 US disclosed
US-7576102-B2 Biaryl substituted nitrogen containing heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2009-08-18 US disclosed
EP-1963261-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-03 EP disclosed
WO-2007073407-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
WO-2007073407-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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 (2 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-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R HRH1 51/4885LTA4H 1/4885SLC6A2 4163/4885
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R HRH1 51/4885LTA4H 1/4885SLC6A2 4163/4885

“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.