SCHEMBL2881283

SCHEMBL2881283

COc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.89
HTR3E A5X5Y0 3/20 0.89
HTR3B O95264 3/20 0.89
HTR3A P46098 3/20 0.89
HTR3D Q70Z44 3/20 0.89
HTR3C Q8WXA8 3/20 0.89
SIGMAR1 Q99720 2/20 0.89
LTA4H P09960 4/20 0.72
HTR1A P08908 3/20 0.62
HTR1B P28222 2/20 0.62
HTR1D P28221 1/20 0.62
HTR2C P28335 1/20 0.55
TGFBR1 P36897 2/20 0.54
HTR7 P34969 2/20 0.53
HTR2B P41595 1/20 0.52
HTR6 P50406 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
SCHEMBL2410870 0.94 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL234280 0.94 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2302729 0.93 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL11070661 0.93 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Piperazine SCHEMBL8590918 0.93 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL1724680 0.93 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9058690 0.89 ADRB1 (0.89) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5237992 0.88 ADRB1 (0.86) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7171062 0.88 ADRB1 (0.86) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7921830 0.88 ADRB1 (0.86) ADRB1HTR3EHTR3BHTR3AHTR3D

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 ADRB1 1432/4885HTR3E 1632/4885HTR3B 725/4885

“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.