SCHEMBL4379048

SCHEMBL4379048

O=C(CCOc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HPGD P15428 4/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TACR1 P25103 1/20 0.45
LMNA P02545 1/20 0.44
ACHE P22303 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 SCHEMBL4376071 0.99 HRH3 (0.57) HRH3ALDH1A1KMT2AKDM4ETSHR
SCHEMBL4379214 0.84 HRH3 (0.53) HRH3ALDH1A1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL4375783 0.83 HRH3 (0.54) HRH3ALDH1A1KMT2AKDM4ETSHR
SCHEMBL4377377 0.80 ALDH1A1 (0.72) HRH3ALDH1A1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL4377246 0.79 ALDH1A1 (0.71) HRH3ALDH1A1KMT2AKDM4ETSHR
SCHEMBL4378662 0.78 KMT2A (0.59) ALDH1A1KMT2AKDM4ETSHRPDE3B
Hydrochloric Acid SCHEMBL4381842 0.77 KMT2A (0.58) HRH3ALDH1A1KMT2AKDM4ETSHR
SCHEMBL4378295 0.75 HPGD (0.70) HRH3ALDH1A1KMT2AKDM4ETSHR
SCHEMBL13636213 0.75 HRH3 (0.54) HRH3ALDH1A1KMT2AKDM4EACHE
SCHEMBL4381856 0.75 HPGD (0.69) HRH3ALDH1A1KMT2AKDM4ETSHR

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 7 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
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-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

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 1/4885ALDH1A1 1907/4885KMT2A 295/4885

“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.