SCHEMBL13136144

SCHEMBL13136144

CC(=O)NC(=O)CN1CC=CCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAOA P21397 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL5001840 0.80 MAOA (0.38) MAOANPSR1DPP4DPP7MAOB
SCHEMBL15415455 0.75 MAOA (0.41) SMN1; SMN2KDM4EMAOADPP4DPP7
SCHEMBL10280098 0.74 MAOA (0.43) MAOADPP4DPP7MAOBDPP8
SCHEMBL13135942 0.72 NPSR1 (0.41) KDM4EMAOANPSR1MAOBNPC1
SCHEMBL13136138 0.70 MAOA (0.32) MAOANPSR1DPP4DPP7MAOB
SCHEMBL13135948 0.70 DRD2 (0.44) ALDH1A1SMN1; SMN2KDM4EMAOANPSR1
SCHEMBL1483821 0.69 CHRM5 (0.61) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL13136153 0.69 MAOA (0.31) MAOANPSR1DPP4DPP7MAOB
SCHEMBL13135994 0.67 PAOX (0.47) SMN1; SMN2MAOADPP4DPP7MAOB
SCHEMBL13135993 0.66 PAOX (0.54) SMN1; SMN2MAOADPP4DPP7MAOB

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-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 ALDH1A1 2926/4885SMN1; SMN2 4533/4885KDM4E 2385/4885

“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.