SCHEMBL4382095

SCHEMBL4382095

CCCN1CCN(C=CC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.44
DUSP3 P51452 2/20 0.44
PTPN5 P54829 2/20 0.44
PTPN11 Q06124 2/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 5/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 3/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4379301 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL4376039 0.84 KDM2B (0.51) KDM2BALDH1A1MAPTLMNAHPGD
SCHEMBL4377283 0.82 HRH3 (0.50) ALDH1A1MAPTMAPK1NPC1USP2
SCHEMBL4376217 0.82 MAPT (0.45) ALDH1A1MAPTMAPK1NPC1USP2
SCHEMBL4377310 0.81 RAB9A (0.60) ALDH1A1MAPTMAPK1NPC1USP2
SCHEMBL4383186 0.81 TSHR (0.45) ALDH1A1MAPTMAPK1NPC1USP2
SCHEMBL4380698 0.80 DRD2 (0.51) SIGMAR1ALDH1A1MAPTMAPK1NPC1
SCHEMBL4379112 0.80 P2RX7 (0.53) SIGMAR1ALDH1A1MAPTUSP2LMNA
SCHEMBL4377874 0.79 OGG1 (0.53) ALDH1A1MAPTNPC1LMNAHPGD
SCHEMBL4375406 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NPC1USP2

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 KDM2B 1107/4885SIGMAR1 237/4885ALDH1A1 1907/4885

“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.