SCHEMBL4386673

SCHEMBL4386673

COc1ccc(CCOC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
HTR2A P28223 1/20 0.57
KCNH2 Q12809 2/20 0.55
KCNJ1 P48048 1/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
BMP1 P13497 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
SCHEMBL9223114 0.93 HTR2A (0.60) MAPTRAB9AHTR2AKCNH2KMT2A
SCHEMBL9846629 0.91 MAPT (0.54) MAPTRAB9AHTR2AKCNH2KCNJ1
SCHEMBL7757606 0.88 HTR2A (0.55) MAPTRAB9AHTR2AKCNH2ALDH1A1
SCHEMBL14525205 0.88 RAB9A (0.49) MAPTRAB9AHTR2AKCNH2KCNJ1
SCHEMBL4389354 0.87 KMT2A (0.55) MAPTHTR2AKCNH2ALDH1A1KMT2A
SCHEMBL1119050 0.86 HTR2A (0.53) MAPTRAB9AHTR2AKCNH2ALDH1A1
SCHEMBL6594172 0.86 HTR2A (0.74) MAPTRAB9AHTR2AKCNH2KCNJ1
SCHEMBL409598 0.86 HTR2A (0.59) MAPTHTR2AALDH1A1KMT2AGAA
SCHEMBL409084 0.85 HTR2A (0.56) MAPTRAB9AHTR2AKCNH2ALDH1A1
SCHEMBL1313684 0.84 MAPT (0.52) MAPTHTR2AKCNH2ALDH1A1KMT2A

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 (2 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 MAPT 1441/4885RAB9A 3209/4885HTR2A 24/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 MAPT 1441/4885RAB9A 3209/4885HTR2A 24/4885

“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.