SCHEMBL4377900

SCHEMBL4377900

CCCCN1CCN(C=CC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
CNR2 P34972 8/20 0.47
DRD3 P35462 2/20 0.47
CNR1 P21554 4/20 0.46
GCGR P47871 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL4375430 0.93 HRH3 (0.48) HRH3CNR2DRD3CNR1GCGR
SCHEMBL7919389 0.81 MEN1 (0.64) HRH3MEN1KMT2A
SCHEMBL4378514 0.81 GPR52 (0.45) HRH3GCGRMEN1KMT2AGPR52
Hydrochloric Acid SCHEMBL27556211 0.80 MEN1 (0.62) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL27531033 0.80 MEN1 (0.62) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL27491721 0.80 MEN1 (0.62) HRH3MEN1KMT2A
SCHEMBL4377273 0.78 GPR52 (0.44) HRH3MEN1KMT2AGPR52
SCHEMBL4375991 0.76 GPR52 (0.44) HRH3MEN1KMT2AGPR52SLC6A3
SCHEMBL4379001 0.76 MAOB (0.45) MEN1KMT2A
SCHEMBL4379112 0.75 P2RX7 (0.53) DRD3

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 1/4885CNR2 20/4885DRD3 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.