SCHEMBL2869065

SCHEMBL2869065

CC(C)(C)OC(=O)NC1(CN2CC=CCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.37
PPIA P62937 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
CACNA1H O95180 1/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 1/20 0.32
P2RX7 Q99572 1/20 0.32
APLNR P35414 1/20 0.31
CTSD P07339 1/20 0.30
CTSS P25774 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
SCHEMBL13136153 0.80 MAOA (0.31)
SCHEMBL24818239 0.80 PPIA (0.39) DRD2PPIANPFFR1NPFFR2CACNA1H
SCHEMBL23692608 0.80 PPIA (0.39) DRD2PPIANPFFR1NPFFR2CACNA1H
SCHEMBL31491350 0.77 SMN1; SMN2 (0.43) DRD2PPIACTSLCTSBCTSK
SCHEMBL24815894 0.75 KMT2A (0.35) DRD2PPIACACNA1HCTSLCTSK
SCHEMBL2868997 0.74 DRD2 (0.34) DRD2CTSLCTSBCTSKCTSD
SCHEMBL2870818 0.74 DRD2 (0.53) DRD2CACNA1H
SCHEMBL20069700 0.71 CACNA1H (0.37) DRD2PPIANPFFR1NPFFR2CACNA1H
SCHEMBL56916 0.70 TDP1 (0.41) DRD2PPIACTSLCTSKP2RX7
SCHEMBL14173595 0.70 KMT2A (0.38) PPIACTSLCTSKP2RX7APLNR

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 3 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-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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 DRD2 1250/4885PPIA 3704/4885NPFFR1 249/4885

“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.