SCHEMBL2881745

SCHEMBL2881745

O=C(O)CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.60
MAPT P10636 4/20 0.56
LMNA P02545 1/20 0.56
HTR7 P34969 2/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HRH1 P35367 2/20 0.53
HRH2 P25021 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 1/20 0.51
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
RAB9A P51151 1/20 0.50
DRD3 P35462 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LTA4H P09960 1/20 0.50
TP53 P04637 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
SCHEMBL13234974 0.99 HTR1A (0.61) HTR1AMAPTLMNAHTR7KMT2A
SCHEMBL2883580 0.92 HRH1 (0.57) HTR1AMAPTLMNAHTR7HRH1
SCHEMBL13234973 0.90 HRH1 (0.58) HTR1AMAPTLMNAHTR7HRH1
SCHEMBL2881748 0.86 HTR1A (0.57) HTR1AMAPTLMNAHTR7KMT2A
SCHEMBL2881604 0.86 MAPT (0.66) HTR1AMAPTLMNAKMT2AMEN1
SCHEMBL2881693 0.85 HTR1A (0.62) HTR1AMAPTLMNAHTR7KMT2A
SCHEMBL2114983 0.85 HTR1A (0.73) HTR1AMAPTLMNAHTR7DRD2
SCHEMBL13234976 0.84 MAPT (0.67) HTR1AMAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL9811592 0.84 HTR1A (0.71) HTR1AMAPTLMNAHTR7DRD2
SCHEMBL5011458 0.83 KMT2A (0.75) HTR1AKMT2AMEN1POLBDRD2

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 1614/4885MAPT 4389/4885LMNA 1768/4885

“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.