SCHEMBL2881335

SCHEMBL2881335

COC(=O)CCCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.52
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTR1A P08908 3/20 0.51
DRD2 P14416 2/20 0.51
SIGMAR1 Q99720 3/20 0.50
HTR7 P34969 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CACNA1G O43497 1/20 0.49
DRD4 P21917 1/20 0.48
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2876227 0.93 HTR1A (0.56) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL13234972 0.86 SIGMAR1 (0.56) HTR2AHTR2CHTR2BHRH1HRH3
SCHEMBL2881369 0.85 HTR1A (0.57) HTR2AHRH1HRH3HTR1ADRD2
SCHEMBL2882030 0.85 KDM4E (0.55) HTR2AHRH1HRH3HTR1ADRD2
SCHEMBL2881612 0.85 SIGMAR1 (0.55) HTR2AHTR2CHTR2BHRH1HRH3
SCHEMBL1085753 0.85 HTR1A (0.65) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL13290300 0.83 CACNA1G (0.51) HTR2AHTR1ADRD2HTR7KDM4E
SCHEMBL2881614 0.82 SIGMAR1 (0.52) HTR2AHTR2CHTR2BHRH1HRH3
SCHEMBL2876290 0.82 GFER (0.51) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL5857750 0.82 CACNA1G (0.60) HTR1AHTR7ALDH1A1CACNA1GKMT2A

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 5 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
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 HTR2A 1840/4885HTR2C 1530/4885HTR2B 1036/4885

“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.