SCHEMBL3131491

SCHEMBL3131491

C[C@H]1CN(Cc2ccn(C(=O)OC(C)(C)C)n2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.44
FAAH O00519 1/20 0.40
GPR119 Q8TDV5 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAP4K4 O95819 1/20 0.36
ENPP2 Q13822 1/20 0.35

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
SCHEMBL2010191 0.86 PDK1 (0.50) MGLLFAAHGPR119
SCHEMBL2002657 0.79 MLNR (0.36)
SCHEMBL2005928 0.79 KCNK3 (0.33) MGLLGPR119ENPP2
SCHEMBL3664002 0.74 MGLL (0.49) MGLLGPR119PTGDR2
SCHEMBL3664004 0.74 MGLL (0.49) MGLLGPR119PTGDR2
SCHEMBL7968974 0.74 MGLL (0.49) MGLLGPR119PTGDR2
SCHEMBL3135296 0.72 CCR1 (0.41) MGLLFAAHPTGDR2
SCHEMBL1632054 0.72 FAAH (0.44) MGLLFAAHGPR119MAP4K4
SCHEMBL28388288 0.72 CCR1 (0.45) MGLLGPR119PTGDR2MAP4K4ENPP2
SCHEMBL28388289 0.72 CCR1 (0.45) MGLLGPR119PTGDR2MAP4K4ENPP2

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
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 MGLL 398/4885FAAH 460/4885GPR119 4/4885

“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.