SCHEMBL2371040

SCHEMBL2371040

Oc1ccc(C2CCOCC2)nc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
CNR2 P34972 1/20 0.37
CHRNA7 P36544 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK1 P28482 3/20 0.36
HTR1A P08908 5/20 0.35
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
AOC3 Q16853 1/20 0.35
KDM5B Q9UGL1 1/20 0.33
KCNH2 Q12809 3/20 0.32
DYRK1A Q13627 1/20 0.32
AR P10275 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
BACE1 P56817 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
SCHEMBL22850867 0.79 PIK3CA (0.43) PIK3CDPIK3CACNR2CHRNA7RPS6KA3
SCHEMBL2371189 0.71 PIK3CD (0.34) PIK3CDPIK3CAMAPK1HTR1ADRD2
SCHEMBL30295045 0.70 PIK3CA (0.50) PIK3CDPIK3CACNR2CHRNA7KDM5B
SCHEMBL28851079 0.69 PIK3CD (0.40) PIK3CDPIK3CACNR2CHRNA7AOC3
SCHEMBL30824510 0.69 PIK3CD (0.40) PIK3CDPIK3CACNR2CHRNA7MAPK1
SCHEMBL27227005 0.69 MAPT (0.41) PIK3CDPIK3CACNR2CHRNA7
SCHEMBL24753238 0.68 RPS6KA3 (0.41) PIK3CDPIK3CARPS6KA3
SCHEMBL30824485 0.68 CHRNA7 (0.40) PIK3CDPIK3CACNR2CHRNA7MAPK1
SCHEMBL25721095 0.68 PIK3CD (0.39) PIK3CDPIK3CACNR2CHRNA7AOC3
SCHEMBL30285349 0.67 NPC1 (0.45) PIK3CDPIK3CAMAPK1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PIK3CD 2206/4885PIK3CA 1442/4885CNR2 724/4885

“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.