SCHEMBL4382804

SCHEMBL4382804

O=C(C=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
L3MBTL1 Q9Y468 7/20 0.60
HTT P42858 5/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 14/20 0.57
LMNA P02545 12/20 0.57
MAPK1 P28482 7/20 0.57
TDP1 Q9NUW8 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
TP53 P04637 2/20 0.53
ALDH1A3 P47895 1/20 0.53
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 3/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13636002 1.00 MAPT (0.60) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4377268 0.99 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190935 0.99 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL2830951 0.93 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL13090297 0.93 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190934 0.82 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4378302 0.82 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190955 0.81 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4379027 0.81 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4375431 0.81 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A

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 MAPT 1441/4885SMN1; SMN2 2684/4885L3MBTL1 4039/4885

“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.