SCHEMBL4384542

SCHEMBL4384542

COc1cc(C=CC(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
GPR183 P32249 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14190941 1.00 PKM (0.58) PKMALDH1A1KDM4EHPGDGPR183
SCHEMBL4380678 0.99 PKM (0.60) PKMALDH1A1KDM4EHPGDGPR183
SCHEMBL14190924 0.99 PKM (0.60) PKMALDH1A1KDM4EHPGDGPR183
SCHEMBL2831400 0.90 ALDH1A1 (0.54) PKMALDH1A1KDM4EHPGDGPR183
SCHEMBL14190938 0.80 SMN1; SMN2 (0.59) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4377582 0.80 SMN1; SMN2 (0.59) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL13090094 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGPR183NPC1
SCHEMBL14190923 0.79 KDM4E (0.58) PKMALDH1A1KDM4EHPGDRAB9A
SCHEMBL4382800 0.79 KDM4E (0.58) PKMALDH1A1KDM4EHPGDRAB9A
SCHEMBL4976818 0.78 HSP90AB1 (0.42) PKMALDH1A1KDM4EHPGDKMT2A

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.