SCHEMBL4382096

SCHEMBL4382096

CCCN1CCN(C(=O)C=Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.72
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CCR2 P41597 3/20 0.59
GAA P10253 1/20 0.56
ITGB2 P05107 1/20 0.54
ICAM1 P05362 1/20 0.54
ITGAL P20701 1/20 0.54
PYGL P06737 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL13636350 1.00 GPR183 (0.72) GPR183TDP1NPC1RAB9ACCR2
SCHEMBL4379308 0.85 SMN1; SMN2 (0.56) GPR183RAB9AGAAITGB2ICAM1
SCHEMBL14190903 0.85 SMN1; SMN2 (0.56) GPR183RAB9AGAAITGB2ICAM1
SCHEMBL4376042 0.84 MEN1 (0.57) GPR183TDP1GAAITGB2ICAM1
SCHEMBL13636155 0.84 MEN1 (0.57) GPR183TDP1GAAITGB2ICAM1
SCHEMBL16598879 0.84 GPR183 (1.00) GPR183TDP1NPC1RAB9ACCR2
SCHEMBL16598876 0.84 GPR183 (1.00) GPR183TDP1NPC1RAB9ACCR2
SCHEMBL4380512 0.82 GPR183 (0.67) GPR183TDP1GAAMEN1KMT2A
SCHEMBL14190905 0.82 GPR183 (0.67) GPR183TDP1GAAMEN1KMT2A
SCHEMBL4377287 0.81 GPR183 (0.57) GPR183TDP1GAAMEN1KMT2A

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 GPR183 264/4885TDP1 3908/4885NPC1 1743/4885

“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.