SCHEMBL13136138

SCHEMBL13136138

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 3/20 0.31
DPP7 Q9UHL4 2/20 0.31
MAOB P27338 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL2868997 0.82 DRD2 (0.34) MAOAMAOB
SCHEMBL13036136 0.75 ALDH1A1 (0.42) NPSR1
SCHEMBL9913291 0.74 ALDH1A1 (0.45) NPSR1
SCHEMBL13920759 0.73 MAOA (0.40) MAOAMAOB
SCHEMBL8192925 0.71 NPSR1 (0.34) NPSR1
SCHEMBL13993899 0.71 SMN1; SMN2 (0.50)
SCHEMBL13135942 0.70 NPSR1 (0.41) MAOANPSR1MAOB
SCHEMBL13136144 0.70 ALDH1A1 (0.35) MAOANPSR1DPP4DPP7MAOB
SCHEMBL27541387 0.70 DPP7 (0.33) MAOADPP4DPP7MAOBDPP8
SCHEMBL5001840 0.70 MAOA (0.38) MAOANPSR1DPP4DPP7MAOB

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 MAOA 2997/4885NPSR1 211/4885DPP4 3963/4885

“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.