SCHEMBL2248693

SCHEMBL2248693

CN(CC1CCN(C(=O)O)CC1)c1ncc2c(n1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.36
HSP90AA1 P07900 4/20 0.36
F12 P00748 4/20 0.34
PDE10A Q9Y233 1/20 0.33
ENPP2 Q13822 1/20 0.33
CNR2 P34972 1/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
F2 P00734 2/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL3407090 0.85 F12 (0.35) HSP90AA1F12PDE10ACNR2CDK2
SCHEMBL2246328 0.79 GPR119 (0.45) GPR119
SCHEMBL2248689 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1ENPP2CNR2AURKA
SCHEMBL3405712 0.78 HSP90AA1 (0.41) ALDH1A1L3MBTL1HSP90AA1GPR119
SCHEMBL2248264 0.77 GPR119 (0.42) HSP90AA1GPR119
SCHEMBL3407169 0.77 NAMPT (0.40) ALDH1A1L3MBTL1HSP90AA1ENPP2AURKA
SCHEMBL3405724 0.73 CNR2 (0.32) PDE10ACNR2
SCHEMBL2248657 0.72 GPR119 (0.41) GPR119
SCHEMBL785547 0.69 HSP90AA1 (0.59) HSP90AA1ENPP2
SCHEMBL720364 0.69 ESR1 (0.48) HSP90AA1

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
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US claimed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 1462/4885L3MBTL1 4812/4885GRIN2B 320/4885

“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.