SCHEMBL4375757

SCHEMBL4375757

C=CCN1CCN(C=CC(=O)c2ccc(OC)cc2OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TNFRSF1A P19438 1/20 0.50
FLT3 P36888 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
XDH P47989 1/20 0.47
ABCB1 P08183 1/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
TLR9 Q9NR96 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4380884 0.91 ABCG2 (0.51) ABCG2MAPTNPC1PDE4APDE4B
SCHEMBL4379172 0.81 ALDH1A1 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4377592 0.80 ALDH1A1 (0.47) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL4378981 0.80 ALDH1A1 (0.44) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL4377580 0.78 KDM2B (0.55) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL4380518 0.77 ABCB1 (0.52) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL4378208 0.77 KDM2B (0.54) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL2829559 0.76 KDM2B (0.55) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL13636009 0.73 SMN1; SMN2 (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4377280 0.73 SMN1; SMN2 (0.59) MAPTMEN1KMT2ANPC1RAB9A

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
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-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ABCG2 733/4885MAPT 1441/4885MEN1 2570/4885

“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.