SCHEMBL4384069

SCHEMBL4384069

COc1ccc(OCC(=O)N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 5/20 0.71
ORAI1 Q96D31 1/20 0.71
KMT2A Q03164 2/20 0.70
TSHR P16473 1/20 0.70
ACHE P22303 5/20 0.68
POLB P06746 2/20 0.60
FKBP1A P62942 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL4379135 0.99 ALDH1A1 (0.73) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL3767766 0.89 ACHE (0.68) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL2829771 0.88 ACHE (0.73) ALDH1A1KDM4EORAI1ACHEPOLB
SCHEMBL4383690 0.88 KDM4E (0.68) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL4378521 0.87 KDM4E (0.71) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL4377377 0.86 ALDH1A1 (0.72) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL4384355 0.86 KDM4E (0.70) ALDH1A1KDM4EORAI1KMT2ATSHR
SCHEMBL17175749 0.86 KDM4E (0.73) ALDH1A1KDM4EORAI1KMT2AACHE
SCHEMBL4378928 0.86 KDM4E (0.73) ALDH1A1KDM4EORAI1KMT2AACHE
Hydrochloric Acid SCHEMBL4377279 0.85 KDM4E (0.68) ALDH1A1KDM4EORAI1KMT2ATSHR

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
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

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 ALDH1A1 1907/4885KDM4E 1567/4885ORAI1 2082/4885

“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.