SCHEMBL2881369

SCHEMBL2881369

COC(=O)CCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.57
DRD2 P14416 3/20 0.57
HTR2A P28223 2/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HRH1 P35367 2/20 0.54
MAPT P10636 2/20 0.54
HRH2 P25021 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.53
DRD4 P21917 2/20 0.52
DRD3 P35462 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 2/20 0.51
TP53 P04637 1/20 0.51
GFER P55789 2/20 0.50
HTR7 P34969 2/20 0.50
POLB P06746 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
SCHEMBL2881693 0.93 HTR1A (0.62) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL2876213 0.89 KMT2A (0.50) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL13234973 0.87 HRH1 (0.58) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL2883580 0.86 HRH1 (0.57) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL2881335 0.85 HTR2A (0.52) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL2882030 0.85 KDM4E (0.55) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL2881755 0.85 LMNA (0.65) HTR1AALDH1A1MAPTLMNAKMT2A
SCHEMBL1085753 0.85 HTR1A (0.65) HTR1ADRD2HTR2AMAPTDRD4
SCHEMBL2883581 0.84 HRH1 (0.55) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL13290300 0.83 CACNA1G (0.51) HTR1ADRD2HTR2AKDM4EALDH1A1

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 1614/4885DRD2 4311/4885HTR2A 1840/4885

“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.