SCHEMBL13636194

SCHEMBL13636194

CN(C)c1ccc(/C=C\C(=O)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.56
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
HSD17B3 P37058 1/20 0.51
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
HBB P68871 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 3/20 0.47
KDM4E B2RXH2 1/20 0.46
AR P10275 1/20 0.45

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
SCHEMBL4386751 1.00 GPR183 (0.56) GPR183ME2ME1ME3HSD17B3
SCHEMBL1612928 0.78 HSD17B3 (0.61) GPR183HSD17B3MAPTGAAKMT2A
SCHEMBL1612931 0.78 HSD17B3 (0.61) GPR183HSD17B3MAPTGAAKMT2A
SCHEMBL4377401 0.77 ACHE (0.58) GPR183MAPTGAAACHE
SCHEMBL14190917 0.77 ACHE (0.58) GPR183MAPTGAAACHE
SCHEMBL14218064 0.77 GPR183 (0.71) GPR183HSD17B3MAPTGAAKMT2A
SCHEMBL4378530 0.74 ACHE (0.64) ME2ME1ME3MAPTGAA
SCHEMBL14190944 0.74 ACHE (0.64) ME2ME1ME3MAPTGAA
SCHEMBL13636161 0.74 GPR183 (0.57) GPR183HSD17B3MAPTGAAKMT2A
SCHEMBL4380647 0.74 GPR183 (0.57) GPR183HSD17B3MAPTGAAKMT2A

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 GPR183 264/4885ME2 2586/4885ME1 3645/4885

“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.