SCHEMBL4380698

SCHEMBL4380698

CCCN1CCN(C=CC(=O)c2cccc(O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
NR1H4 Q96RI1 1/20 0.43
DRD3 P35462 3/20 0.42
CHRNA7 P36544 2/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
P4HB P07237 3/20 0.41
NFKB1 P19838 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4376039 0.86 KDM2B (0.51) DRD2DRD3ALDH1A1MAPTLMNA
SCHEMBL4377283 0.85 HRH3 (0.50) DRD2DRD3NPC1ALDH1A1MAPT
SCHEMBL4376217 0.84 MAPT (0.45) DRD2NPC1ALDH1A1MAPTMAPK1
SCHEMBL4382095 0.80 KDM2B (0.50) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4375904 0.79 CYP1A1 (0.48) DRD3NPC1ALDH1A1MAPTMAPK1
SCHEMBL4383715 0.78 HTT (0.43) DRD2DRD3NPC1ALDH1A1MAPT
SCHEMBL4383186 0.78 TSHR (0.45) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4377310 0.78 RAB9A (0.60) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4379001 0.78 MAOB (0.45) DRD2NPC1ALDH1A1MAPTMAPK1
SCHEMBL4375430 0.78 HRH3 (0.48) DRD2NR1H4DRD3ALDH1A1MAPT

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 DRD2 175/4885NR1H4 115/4885DRD3 232/4885

“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.