SCHEMBL4384539

SCHEMBL4384539

COc1cc(OC)cc(C(=O)C=CN2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX12 P18054 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
KDM2B Q8NHM5 5/20 0.44
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4380675 0.99 PKM (0.60) PKMALDH1A1KDM4EL3MBTL1USP2
SCHEMBL2831398 0.90 ALDH1A1 (0.50) PKMALDH1A1KDM4EL3MBTL1USP2
SCHEMBL4379197 0.86 GAA (0.46) PKMALDH1A1KDM4EL3MBTL1USP2
SCHEMBL4377580 0.80 KDM2B (0.55) ALDH1A1L3MBTL1USP2MAPTNPC1
SCHEMBL4378208 0.79 KDM2B (0.54) ALDH1A1L3MBTL1USP2MAPTNPC1
SCHEMBL2829775 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1USP2MAPT
SCHEMBL4380643 0.75 MAPT (0.46) PKMALDH1A1KDM4EL3MBTL1USP2
SCHEMBL4377592 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1USP2MAPT
SCHEMBL4385747 0.74 MAPT (0.45) PKMALDH1A1KDM4EL3MBTL1USP2
SCHEMBL4378352 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EUSP2MAPTNPC1

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 4 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-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 PKM 2476/4885ALDH1A1 1907/4885KDM4E 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.