SCHEMBL2876227

SCHEMBL2876227

COC(=O)CCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
HTR7 P34969 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL2881335 0.93 HTR2A (0.52) HTR1AHTR7MAPTKDM4EALDH1A1
SCHEMBL20562281 0.89 HTR1A (0.64) HTR1AHTR7MAPTKDM4EALDH1A1
SCHEMBL12041582 0.85 MAPT (0.69) HTR1AMAPTKDM4EALDH1A1KMT2A
SCHEMBL13234969 0.85 HTR1A (0.58) HTR1AHTR7MAPT
SCHEMBL2881693 0.85 HTR1A (0.62) HTR1AHTR7MAPTKDM4EALDH1A1
SCHEMBL2881982 0.85 MAPT (0.58) HTR1AHTR7MAPTKDM4EALDH1A1
SCHEMBL2881711 0.84 HTR1A (0.57) HTR1AHTR7MAPT
SCHEMBL2881713 0.82 HTR1A (0.55) HTR1AHTR7MAPT
SCHEMBL10260491 0.81 DRD2 (0.55) HTR1AHTR7MAPTKDM4EALDH1A1
SCHEMBL2880975 0.81 KMT2A (0.54) HTR1AHTR7MAPTKDM4EALDH1A1

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 4 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
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

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 HTR1A 1614/4885HTR7 1754/4885MAPT 4389/4885

“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.