SCHEMBL4377592

SCHEMBL4377592

C=CCN1CCN(C=CC(=O)c2cc(OC)cc(OC)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
USP2 O75604 3/20 0.47
ALOX12 P18054 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
OPRD1 P41143 3/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4375757 0.80 ABCG2 (0.51) ALDH1A1MAPTUSP2ABCG2MAPK1
SCHEMBL4380884 0.80 ABCG2 (0.51) ALDH1A1MAPTUSP2ALOX12ABCG2
SCHEMBL4384539 0.75 PKM (0.58) ALDH1A1MAPTUSP2ALOX12ABCG2
SCHEMBL4377421 0.75 MAPT (0.46) ALDH1A1MAPTUSP2ALOX12MAPK1
SCHEMBL4380675 0.74 PKM (0.60) ALDH1A1MAPTUSP2ALOX12ABCG2
SCHEMBL4377394 0.73 ALDH1A1 (0.51) ALDH1A1MAPTUSP2ALOX12ABCG2
SCHEMBL4378981 0.73 ALDH1A1 (0.44) ALDH1A1MAPTUSP2MAPK1NPC1
SCHEMBL14190945 0.72 GPR183 (0.57) ALDH1A1KDM4EL3MBTL1
SCHEMBL2831398 0.72 ALDH1A1 (0.50) ALDH1A1MAPTUSP2ALOX12ABCG2
SCHEMBL4381758 0.72 GPR183 (0.57) ALDH1A1KDM4EL3MBTL1

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 ALDH1A1 1907/4885MAPT 1441/4885USP2 2350/4885

“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.