SCHEMBL2881982

SCHEMBL2881982

COC(=O)CCN1CCN(c2ccc(Nc3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
HTR1A P08908 5/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR7 P34969 1/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
DRD2 P14416 2/20 0.51
KMT2A Q03164 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL2882030 0.93 KDM4E (0.55) MAPTHTR1ATP53LMNAL3MBTL1
SCHEMBL20562281 0.89 HTR1A (0.64) MAPTHTR1ATP53LMNAL3MBTL1
SCHEMBL13234959 0.87 LMNA (0.57) MAPTHTR1ALMNAL3MBTL1HTR7
SCHEMBL2881678 0.85 LMNA (0.56) MAPTHTR1ATP53LMNAL3MBTL1
SCHEMBL2881693 0.85 HTR1A (0.62) MAPTHTR1ATP53LMNAHTR7
SCHEMBL2876227 0.85 HTR1A (0.56) MAPTHTR1ATP53HTR7KDM4E
SCHEMBL2881682 0.83 LMNA (0.54) MAPTHTR1ATP53LMNAL3MBTL1
SCHEMBL13234961 0.82 CACNA1G (0.59) HTR1ALMNAL3MBTL1HTR7KDM4E
SCHEMBL2880975 0.81 KMT2A (0.54) MAPTHTR1ALMNAHTR7KDM4E
SCHEMBL10260491 0.81 DRD2 (0.55) MAPTHTR1ATP53LMNAL3MBTL1

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 MAPT 4389/4885HTR1A 1614/4885TP53 3557/4885

“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.