SCHEMBL2883580

SCHEMBL2883580

O=C(O)CCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.57
HRH3 Q9Y5N1 3/20 0.57
HRH2 P25021 1/20 0.57
HTR1A P08908 6/20 0.55
DRD2 P14416 6/20 0.55
HTR2A P28223 5/20 0.55
DRD3 P35462 3/20 0.55
TMEM97 Q5BJF2 3/20 0.55
SIGMAR1 Q99720 3/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTR7 P34969 2/20 0.53
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD4 P21917 1/20 0.49
CACNA1G O43497 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL13234973 0.99 HRH1 (0.58) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL2881745 0.92 HTR1A (0.60) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL13234974 0.91 HTR1A (0.61) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL2882057 0.90 LTA4H (0.48) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL13234980 0.88 LTA4H (0.49) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL2883581 0.87 HRH1 (0.55) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL2881369 0.86 HTR1A (0.57) HRH1HRH3HRH2HTR1ADRD2
SCHEMBL8045431 0.86 KCNH2 (0.69) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL3161414 0.84 KMT2A (0.67) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL2881604 0.83 MAPT (0.66) HRH1HRH3HRH2HTR1ALMNA

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 HRH1 51/4885HRH3 54/4885HRH2 29/4885

“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.