SCHEMBL2881718

SCHEMBL2881718

Cc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.79
LTA4H P09960 4/20 0.72
HTR3E A5X5Y0 5/20 0.66
HTR3B O95264 5/20 0.66
HTR3A P46098 5/20 0.66
HTR3D Q70Z44 5/20 0.66
HTR3C Q8WXA8 5/20 0.66
SIGMAR1 Q99720 4/20 0.66
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
HTR5A P47898 2/20 0.46
ESRRB O95718 1/20 0.46
ESRRG P62508 1/20 0.46
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL6645952 0.89 ADRB1 (1.00) ADRB1LTA4HHTR3EHTR3BHTR3A
SCHEMBL81940 0.89 ADRB1 (1.00) ADRB1LTA4HHTR3EHTR3BHTR3A
SCHEMBL7171062 0.88 ADRB1 (0.86) ADRB1LTA4HHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL314404 0.87 ADRB1 (0.96) ADRB1LTA4HHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL3719334 0.87 ADRB1 (0.96) ADRB1LTA4HHTR3EHTR3BHTR3A
SCHEMBL2881283 0.86 ADRB1 (0.89) ADRB1LTA4HHTR3EHTR3BHTR3A
Water SCHEMBL27430691 0.85 ADRB1 (0.92) ADRB1LTA4HHTR3EHTR3BHTR3A
SCHEMBL2156502 0.84 LTA4H (1.00) ADRB1LTA4HHTR3EHTR3BHTR3A
SCHEMBL18553760 0.83 ADRB1 (0.68) ADRB1LTA4HHTR3EHTR3BHTR3A
Dimethylamine SCHEMBL28750709 0.83 ADRB1 (0.88) ADRB1LTA4HHTR3EHTR3BHTR3A

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 8 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
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 1432/4885LTA4H 1/4885HTR3E 1632/4885

“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.