SCHEMBL2005928

SCHEMBL2005928

C[C@@H]1CN(Cc2ccn(C(=O)OC(C)(C)C)n2)C[C@H](C)N1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.33
KCNK9 Q9NPC2 8/20 0.33
SPR P35270 1/20 0.32
SCN9A Q15858 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
RORC P51449 1/20 0.31
PREP P48147 1/20 0.31
MGLL Q99685 1/20 0.30
EGFR P00533 1/20 0.30
BRAF P15056 1/20 0.30
ENPP2 Q13822 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
SCHEMBL2002657 0.81 MLNR (0.36) KCNK3KCNK9PREP
SCHEMBL3131491 0.79 MGLL (0.44) GPR119MGLLENPP2
SCHEMBL2010191 0.73 PDK1 (0.50) GPR119MGLL
SCHEMBL17633162 0.72 CYP4F2 (0.39) GPR119
SCHEMBL17361380 0.72 CYP4F2 (0.42)
SCHEMBL2006922 0.70 BCHE (0.35) GPR119
SCHEMBL16060458 0.70 NR1H2 (0.37) PREP
SCHEMBL12878380 0.69 CYP4F2 (0.42) PREP
SCHEMBL23408345 0.68 KCNK3 (0.43) KCNK3KCNK9GPR119RORC
SCHEMBL29796491 0.68 KCNK3 (0.43) KCNK3KCNK9GPR119RORC

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-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
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 KCNK3 1545/4885KCNK9 2123/4885SPR 4262/4885

“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.