SCHEMBL146987

SCHEMBL146987

CCOC(=O)C(C)C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.45
GRM5 P41594 10/20 0.44
ADORA1 P30542 1/20 0.44
GRM1 Q13255 10/20 0.41
NAMPT P43490 1/20 0.40
TNK2 Q07912 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
CDK7 P50613 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL12026412 0.83 PDK4 (0.51) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL18852698 0.81 PDK4 (0.47) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL12931062 0.79 ADORA1 (0.53) PDK4GRM5ADORA1GRM1NAMPT
SCHEMBL6750186 0.79 PDK4 (0.46) PDK4GRM5ADORA1GRM1NAMPT
SCHEMBL5369547 0.78 GAA (0.41)
SCHEMBL23852710 0.78 ADORA1 (0.45) PDK4GRM5ADORA1GRM1NAMPT
SCHEMBL19995874 0.77 ADORA1 (0.46) PDK4GRM5ADORA1GRM1NAMPT
SCHEMBL31397205 0.77 GRM5 (0.50) PDK4GRM5GRM1
SCHEMBL5392226 0.76 PDK4 (0.46) PDK4GRM5ADORA1GRM1NAMPT
SCHEMBL3151019 0.76 GAA (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395578-A Compounds for the treatment of metabolic disorders PROSIDION LTD 2012-03-28 CN disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 PDK4 430/4885GRM5 462/4885ADORA1 425/4885

“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.