SCHEMBL3984591

SCHEMBL3984591

O=C(c1[c]cccc1)N1CCOC(CO)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43
PIK3R3 Q92569 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
JAK2 O60674 3/20 0.37
SCN9A Q15858 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3988422 0.80 PDK1 (0.42) PDK1PIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4411527 0.77 PDK2 (0.45) RAB9A
SCHEMBL3984592 0.77 PDK1 (0.47) PDK1PIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL971067 0.76 HPGD (0.51) MEN1KMT2ANPSR1
SCHEMBL1921739 0.74 L3MBTL1 (0.43) MEN1KMT2ANPSR1
SCHEMBL28292572 0.72 SCN9A (0.44) PDK1PIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4458413 0.72 PDK2 (0.43) ALOX5APFEN1RAB9A
SCHEMBL13725365 0.72 PDK1 (0.47) PDK1PIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL7020630 0.72 MEN1 (0.61) PDK1MEN1KMT2ANPSR1RAB9A
SCHEMBL15697191 0.72 MEN1 (0.61) PDK1MEN1KMT2ANPSR1RAB9A

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 7 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-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 3546/4885PIK3CA 3519/4885PIK3CD 3842/4885

“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.