SCHEMBL13636362

SCHEMBL13636362

O=C(/C=C/c1cccc2ccccc12)N1CCN(C2CCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.45
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4378578 1.00 KDM4E (0.64) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL4384269 0.99 KDM4E (0.62) KDM4ENPC1RAB9AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL4376224 0.99 KDM4E (0.62) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL13636004 0.99 KDM4E (0.62) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL13090050 0.90 KDM4E (0.64) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL2829563 0.90 KDM4E (0.64) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL13090047 0.89 KDM4E (0.62) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL3767551 0.88 KDM4E (0.54) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL3767553 0.88 KDM4E (0.54) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL29259418 0.82 HSD11B1 (0.51) KDM4EMAPTL3MBTL1SMN1; SMN2ALDH1A1

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 KDM4E 1567/4885NPC1 1743/4885RAB9A 3209/4885

“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.