SCHEMBL4377225

SCHEMBL4377225

COc1ccc(C(=O)C=CN2CCN(C3CCCC3)CC2)c(Cl)c1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SHMT2 P34897 1/20 0.39
CCR3 P51677 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
MCL1 Q07820 1/20 0.38
TACR1 P25103 1/20 0.37
KDM2B Q8NHM5 2/20 0.37

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
SCHEMBL4377581 0.99 ALDH1A1 (0.46) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL2833138 0.92 ALDH1A1 (0.46) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4382981 0.85 GAA (0.53) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4380856 0.84 GAA (0.52) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4377580 0.81 KDM2B (0.55) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4378208 0.80 KDM2B (0.54) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4383089 0.79 ALDH1A1 (0.41) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4379172 0.79 ALDH1A1 (0.41) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL4379197 0.77 GAA (0.46) ALDH1A1NPC1USP2LMNAMAPT
SCHEMBL2831500 0.76 KDM4E (0.50) ALDH1A1NPC1USP2LMNAMAPT

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 1907/4885NPC1 1743/4885USP2 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.