SCHEMBL3984592

SCHEMBL3984592

O=C(c1cc[c]cc1)N1CCOC(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.47
JAK2 O60674 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
SCN9A Q15858 1/20 0.39
GLRA1 P23415 1/20 0.38
PHGDH O43175 1/20 0.37
LRRK2 Q5S007 2/20 0.36
RECQL P46063 1/20 0.36
PDE2A O00408 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL13725365 0.83 PDK1 (0.47) PDK1JAK2PIK3CAPIK3CDPIK3R2
SCHEMBL3983890 0.81 CYP19A1 (0.48) PDK1
SCHEMBL28292572 0.81 SCN9A (0.44) PDK1JAK2PIK3CAPIK3CDPIK3R2
SCHEMBL3984591 0.77 PDK1 (0.43) PDK1JAK2PIK3CAPIK3CDPIK3R2
SCHEMBL24513571 0.75 SCN9A (0.49) PDK1SCN9AGLRA1
SCHEMBL24513784 0.75 SCN9A (0.49) PDK1SCN9AGLRA1
SCHEMBL25253737 0.74 HPGD (0.54) PHGDH
SCHEMBL21000 0.74 PHGDH (0.64) PHGDH
SCHEMBL27785370 0.73 PDK1 (0.62) PDK1PIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL28132263 0.73 PDK1 (0.62) PDK1PIK3CAPIK3CDPIK3R2PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 PDK1 3546/4885JAK2 3598/4885PIK3CA 3519/4885

“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.