SCHEMBL2870818

SCHEMBL2870818

CC(C)(C)OC(=O)NCCN1CC=CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.53
CACNA1H O95180 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL1620776 0.90 DRD2 (0.55) DRD2CACNA1HTDP1SIGMAR1ALDH1A1
SCHEMBL28210559 0.88 DRD2 (0.52) DRD2CACNA1HTDP1SIGMAR1CD274
SCHEMBL29290724 0.84 DRD2 (0.56) DRD2CACNA1HTDP1SIGMAR1CD274
SCHEMBL31301242 0.81 DRD2 (0.63) DRD2CACNA1HTDP1SIGMAR1CD274
SCHEMBL24172673 0.79 DRD2 (0.56) DRD2CACNA1HTDP1SIGMAR1CD274
SCHEMBL31301250 0.79 DRD2 (0.56) DRD2CACNA1HTDP1SIGMAR1CD274
SCHEMBL4024516 0.79 DRD2 (0.56) DRD2CACNA1HTDP1MEN1GAA
SCHEMBL13135942 0.79 NPSR1 (0.41) DRD2
SCHEMBL7220892 0.77 DRD2 (0.55) DRD2CACNA1HTDP1ALDH1A1MEN1
SCHEMBL13202614 0.77 DRD2 (0.59) DRD2CACNA1HTDP1SIGMAR1CD274

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 1250/4885CACNA1H 1996/4885TDP1 4728/4885

“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.