SCHEMBL4384401

SCHEMBL4384401

COc1ccc(CCOC(=O)N2CCN(C3CCCC3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 1/20 0.51
SHMT2 P34897 1/20 0.50
SLC6A4 P31645 1/20 0.49
KCNA5 P22460 5/20 0.48
SCN5A Q14524 5/20 0.48
KCND2 Q9NZV8 5/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 2/20 0.48
EPHX1 P07099 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
FKBP1A P62942 1/20 0.47
CHRM3 P20309 3/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
L3MBTL1 Q9Y468 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 SCHEMBL4384398 0.99 KCNA5 (0.50) ALDH1A1KMT2ATSHRSHMT2SLC6A4
SCHEMBL4377238 0.84 KMT2A (0.71) ALDH1A1KMT2ATSHRSHMT2MEN1
Hydrochloric Acid SCHEMBL4384477 0.84 KCNA5 (0.48) ALDH1A1KMT2ATSHRSHMT2SLC6A4
SCHEMBL4375187 0.83 KMT2A (0.73) ALDH1A1KMT2ATSHRSHMT2MEN1
SCHEMBL4375522 0.82 KMT2A (0.62) ALDH1A1KMT2ATSHRSHMT2MEN1
SCHEMBL4384250 0.81 KMT2A (0.64) ALDH1A1KMT2ATSHRSHMT2MEN1
Hydrochloric Acid SCHEMBL4378950 0.81 KMT2A (0.61) ALDH1A1KMT2ATSHRSHMT2MEN1
SCHEMBL4378547 0.79 HRH3 (0.55) ALDH1A1KMT2ATSHRMEN1KDM4E
Hydrochloric Acid SCHEMBL4378542 0.78 HRH3 (0.56) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL13636162 0.78 KMT2A (0.51) ALDH1A1KMT2ATSHRSHMT2SLC6A4

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 12 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-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 ALDH1A1 1907/4885KMT2A 295/4885TSHR 621/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALDH1A1 1907/4885KMT2A 295/4885TSHR 621/4885

“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.