SCHEMBL4387240

SCHEMBL4387240

CCC(CC)N1CCN(C(=O)OCCCOc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 2/20 0.48
MAPT P10636 1/20 0.46
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4387237 0.99 HRH3 (0.54) HRH3ALDH1A1POLBCYP2C19DRD3
SCHEMBL4386252 0.94 HRH3 (0.54) HRH3ALDH1A1POLBCYP2C19DRD3
Hydrochloric Acid SCHEMBL4386246 0.94 HRH3 (0.55) HRH3ALDH1A1POLBCYP2C19DRD3
SCHEMBL13636241 0.83 HRH3 (0.55) HRH3ALDH1A1MAPTHRH2HRH1
SCHEMBL4378547 0.82 HRH3 (0.55) HRH3ALDH1A1POLBCYP2C19MAPT
SCHEMBL4388605 0.82 HRH3 (0.69) HRH3ALDH1A1MAPTHRH2HRH1
Hydrochloric Acid SCHEMBL4378542 0.81 HRH3 (0.56) HRH3ALDH1A1POLBCYP2C19MAPT
Hydrochloric Acid SCHEMBL4388603 0.81 HRH3 (0.71) HRH3ALDH1A1MAPTHRH2HRH1
SCHEMBL4378509 0.76 HRH3 (0.71) HRH3ALDH1A1POLBCYP2C19DRD3
SCHEMBL4385902 0.76 MEN1 (0.50) HRH3ALDH1A1MAPTHRH2HRH1

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 10 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
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 HRH3 1/4885ALDH1A1 1907/4885POLB 3551/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 1907/4885POLB 3551/4885

“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.