SCHEMBL13636381

SCHEMBL13636381

O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN(CC2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
PDE3B Q13370 6/20 0.48
PDE3A Q14432 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
KCNH2 Q12809 5/20 0.47
CCR2 P41597 1/20 0.47
HRH1 P35367 5/20 0.47
CCR3 P51677 5/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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 SCHEMBL4388621 0.99 HRH3 (0.54) HRH3KDM4EALDH1A1PDE3BPDE3A
SCHEMBL13636210 0.82 HRH3 (0.49) HRH3KDM4EALDH1A1PDE3BPDE3A
SCHEMBL4379214 0.81 HRH3 (0.53) HRH3KDM4EALDH1A1PDE3BPDE3A
Hydrochloric Acid SCHEMBL4375783 0.81 HRH3 (0.54) HRH3KDM4EALDH1A1PDE3BPDE3A
SCHEMBL14190973 0.80 HRH3 (0.61) HRH3PDE3BPDE3ASMN1; SMN2HRH1
Hydrochloric Acid SCHEMBL4388263 0.79 HRH3 (0.62) HRH3SMN1; SMN2HRH1
SCHEMBL13636213 0.79 HRH3 (0.54) HRH3KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4383960 0.78 HRH3 (0.56) HRH3KDM4EALDH1A1
SCHEMBL2791825 0.71 HCRTR1 (0.51) HRH3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL23097796 0.71 ADAMTS5 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 5 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-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 1/4885KDM4E 1567/4885ALDH1A1 1907/4885

“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.