SCHEMBL2477652

SCHEMBL2477652

Cc1noc(C)c1COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
HTR2A P28223 1/20 0.53
MAPT P10636 4/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AKR1C3 P42330 3/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL22230676 0.83 HTR2A (0.46) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL22516386 0.83 MAPT (0.50) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL21107813 0.81 HTR2A (0.44) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL22256700 0.80 HTR2A (0.43) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL29517655 0.80 HTR2A (0.43) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL22230626 0.79 HTR2A (0.42) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL7463242 0.79 HTR2A (0.58) ALDH1A1HTR2AMAPTGAAKMT2A
SCHEMBL1312865 0.79 HTR2A (0.53) ALDH1A1HTR2AMAPTGAAL3MBTL1
SCHEMBL21107995 0.78 SLCO1B1 (0.53) ALDH1A1HTR2AMAPTMAPK1NPSR1
SCHEMBL31392390 0.77 HTR2A (0.41) ALDH1A1HTR2AMAPTMAPK1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735332-B1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-10-19 EP disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 US disclosed
EP-1735332-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-03 US disclosed
WO-2005100377-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-10-27 WO disclosed
US-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands ABBVIE INC. 2005-10-13 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 (3 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-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 ALDH1A1 2714/4885HTR2A 250/4885MAPT 4717/4885
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 ALDH1A1 2714/4885HTR2A 250/4885MAPT 4717/4885
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS HRH4, HRH3, HRH2 ALDH1A1 2714/4885HTR2A 250/4885MAPT 4717/4885

“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.