SCHEMBL13636157

SCHEMBL13636157

CCCN1CCN(C(=O)/C=C/c2ccccc2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
KMT2A Q03164 3/20 0.55
GPR183 P32249 3/20 0.55
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2R P25116 1/20 0.48
AR P10275 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4375996 1.00 APP (0.55) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL13635997 0.87 KMT2A (0.55) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL4379006 0.87 KMT2A (0.55) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL13636352 0.86 MAPT (0.69) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL4379116 0.86 MAPT (0.69) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL4375435 0.84 KDM4E (0.64) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL13636493 0.84 KDM4E (0.64) APPKMT2AGPR183MAPTL3MBTL1
SCHEMBL13636224 0.82 KMT2A (0.83) KMT2AMAPTL3MBTL1POLBMEN1
SCHEMBL4384009 0.82 KMT2A (0.83) KMT2AMAPTL3MBTL1POLBMEN1
SCHEMBL791546 0.80 HPGD (0.65) APPKMT2AGPR183MAPTL3MBTL1

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 APP 892/4885KMT2A 295/4885GPR183 264/4885

“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.