SCHEMBL14190899

SCHEMBL14190899

CCCN1CCN(C(=O)/C=C/c2cccnc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
GPR183 P32249 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
JUN P05412 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
POLB P06746 1/20 0.51
C3AR1 Q16581 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
APP P05067 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FNTA P49354 1/20 0.46

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
SCHEMBL4375908 1.00 NAMPT (0.59) NAMPTHRH2HRH1GPR183MAPT
SCHEMBL14190907 0.85 GPR183 (0.62) GPR183MAPTKDM4EJUNNFKB1
SCHEMBL4383718 0.85 GPR183 (0.62) GPR183MAPTKDM4EJUNNFKB1
SCHEMBL19658346 0.82 MAPT (0.66) NAMPTMAPTKDM4ENPC1JUN
SCHEMBL11470275 0.79 RAB9A (0.62) NAMPTMAPTKDM4ENPC1JUN
SCHEMBL11470273 0.79 RAB9A (0.62) NAMPTMAPTKDM4ENPC1JUN
SCHEMBL13636348 0.79 GPR183 (0.55) GPR183MAPTKDM4EPOLBMEN1
SCHEMBL4380701 0.79 GPR183 (0.55) GPR183MAPTKDM4EPOLBMEN1
SCHEMBL4380512 0.78 GPR183 (0.67) GPR183MAPTKDM4EPOLBMEN1
SCHEMBL14190905 0.78 GPR183 (0.67) GPR183MAPTKDM4EPOLBMEN1

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
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 NAMPT 4387/4885HRH2 4/4885HRH1 3/4885

“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.