SCHEMBL4375430

SCHEMBL4375430

CCCN1CCN(C=CC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CNR2 P34972 4/20 0.45
GPR52 Q9Y2T5 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR1 P21554 2/20 0.44
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
DRD3 P35462 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4377900 0.93 HRH3 (0.52) HRH3CNR2GPR52MEN1KMT2A
SCHEMBL4375991 0.83 GPR52 (0.44) HRH3DRD2SLC6A4GPR52MEN1
SCHEMBL4379001 0.83 MAOB (0.45) DRD2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4378514 0.82 GPR52 (0.45) HRH3KDM4EGPR52MEN1KMT2A
SCHEMBL4379112 0.82 P2RX7 (0.53) DRD2KDM4EALDH1A1MAPTHPGD
SCHEMBL4377273 0.80 GPR52 (0.44) HRH3KDM4EGPR52MEN1KMT2A
SCHEMBL4384007 0.78 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4380698 0.78 DRD2 (0.51) DRD2MEN1KMT2AALDH1A1MAPT
SCHEMBL4377283 0.78 HRH3 (0.50) HRH3DRD2SLC6A4KDM4EGPR52
SCHEMBL4378574 0.75 GAA (0.53) HRH3KDM4EGPR52MEN1KMT2A

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 HRH3 1/4885DRD2 175/4885SLC6A4 858/4885

“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.