SCHEMBL4375448

SCHEMBL4375448

CCCCN1CCN(C(=O)C=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
HTT P42858 4/20 0.57
KMT2A Q03164 4/20 0.57
GPR183 P32249 1/20 0.57
ALDH1A1 P00352 12/20 0.54
LMNA P02545 9/20 0.54
MAPK1 P28482 7/20 0.54
TDP1 Q9NUW8 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 2/20 0.53
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A3 P47895 1/20 0.50
GAA P10253 1/20 0.50
ITGB2 P05107 1/20 0.48
ICAM1 P05362 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
SCHEMBL14190933 1.00 MAPT (0.57) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190904 0.94 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4379027 0.94 MAPT (0.62) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190955 0.84 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4375431 0.84 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL14190934 0.82 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4378302 0.82 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL13636002 0.79 MAPT (0.60) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4382804 0.79 MAPT (0.60) MAPTSMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL4379308 0.79 SMN1; SMN2 (0.56) 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.