SCHEMBL4378301

SCHEMBL4378301

CC(C)N1CCN(C=CC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.55
MAPT P10636 13/20 0.55
MAPK1 P28482 8/20 0.55
LMNA P02545 7/20 0.55
TDP1 Q9NUW8 5/20 0.55
HTT P42858 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 7/20 0.54
L3MBTL1 Q9Y468 6/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 3/20 0.54
PKM P14618 1/20 0.54
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.50
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 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
SCHEMBL4379024 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4380589 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4375447 0.82 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4375429 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4377264 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL2830950 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL14190934 0.77 MAPT (0.61) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4378302 0.77 MAPT (0.61) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL23852127 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL31587831 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1LMNATDP1

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 ALDH1A1 1907/4885MAPT 1441/4885MAPK1 3802/4885

“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.