SCHEMBL4380598

SCHEMBL4380598

O=C(CCc1cccnc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.57
ME1 P48163 2/20 0.57
ME3 Q16798 2/20 0.57
MAPT P10636 3/20 0.56
GFER P55789 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CHRM1 P11229 1/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
C3AR1 Q16581 8/20 0.53
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10305181 0.84 NPC1 (0.67) C3AR1
SCHEMBL20353683 0.83 C3AR1 (0.55) MEN1KMT2AALDH1A1C3AR1
SCHEMBL1312749 0.83 CHRM1 (0.57) MEN1KMT2ACHRM1C3AR1
SCHEMBL14218061 0.81 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1312788 0.80 C3AR1 (0.55) MEN1KMT2AALDH1A1C3AR1
SCHEMBL18705025 0.80 C3AR1 (0.54) MEN1KMT2AC3AR1
SCHEMBL13801421 0.79 MAPT (0.58) MAPTMEN1KMT2ACHRM1SMN1; SMN2
SCHEMBL4378642 0.79 L3MBTL1 (0.57) ME2ME1ME3MAPTGFER
SCHEMBL13636195 0.79 ROCK2 (0.54) ME2ME1ME3MAPTGFER
SCHEMBL4176971 0.79 TSHR (0.64) MEN1KMT2AALDH1A1C3AR1

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 9 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
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-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
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 ME2 2586/4885ME1 3645/4885ME3 3264/4885

“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.