SCHEMBL13636213

SCHEMBL13636213

O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 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 SCHEMBL4383960 0.99 HRH3 (0.56) HRH3GAAKDM4EALDH1A1USP2
SCHEMBL4379214 0.90 HRH3 (0.53) HRH3KDM4EALDH1A1SLC6A4KMT2A
Hydrochloric Acid SCHEMBL4375783 0.89 HRH3 (0.54) HRH3KDM4EALDH1A1SLC6A4KMT2A
SCHEMBL13636381 0.79 HRH3 (0.52) HRH3KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4388621 0.78 HRH3 (0.54) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4379048 0.75 HRH3 (0.56) HRH3KDM4EALDH1A1KMT2AACHE
Hydrochloric Acid SCHEMBL4376071 0.74 HRH3 (0.57) HRH3KDM4EALDH1A1KMT2A
SCHEMBL3769014 0.73 KDM4E (0.55) HRH3KDM4ESLC6A4CYP2C19ACHE
SCHEMBL4378662 0.72 KMT2A (0.59) GAAKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4377377 0.72 ALDH1A1 (0.72) HRH3GAAKDM4EALDH1A1KMT2A

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 1/4885GAA 2830/4885KDM4E 1567/4885

“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.