SCHEMBL4377904

SCHEMBL4377904

CC(C)N1CCN(C(=O)OCCOc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.56
HRH1 P35367 2/20 0.56
HRH3 Q9Y5N1 4/20 0.54
GAA P10253 1/20 0.49
CHRNA7 P36544 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNA5 P22460 2/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
Hydrochloric Acid SCHEMBL4377901 0.99 HRH3 (0.56) HRH2HRH1HRH3GAACHRNA7
SCHEMBL4382947 0.94 HRH2 (0.58) HRH2HRH1HRH3GAACHRNA7
Hydrochloric Acid SCHEMBL4382943 0.93 HRH2 (0.57) HRH2HRH1HRH3GAACHRNA7
SCHEMBL4378509 0.88 HRH3 (0.71) HRH2HRH1HRH3GAAALDH1A1
Hydrochloric Acid SCHEMBL4378506 0.86 HRH3 (0.73) HRH2HRH1HRH3GAAALDH1A1
SCHEMBL13636025 0.82 HRH2 (0.50) HRH2HRH1HRH3GAAALDH1A1
SCHEMBL4388605 0.81 HRH3 (0.69) HRH2HRH1HRH3GAAALDH1A1
Hydrochloric Acid SCHEMBL4377908 0.81 HRH2 (0.71) HRH2HRH1ALDH1A1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL4388603 0.81 HRH3 (0.71) HRH2HRH1HRH3GAAALDH1A1
SCHEMBL12067608 0.80 ALDH1A1 (0.72) HRH3GAAALDH1A1KDM4EL3MBTL1

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 11 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 disclosed
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-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US 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
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 (2 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 HRH2 4/4885HRH1 3/4885HRH3 1/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HRH2 4/4885HRH1 3/4885HRH3 1/4885

“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.