SCHEMBL3273686

SCHEMBL3273686

CN(C)C(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
PDK2 Q15119 7/20 0.40
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 2/20 0.33
CYP2D6 P10635 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PDE5A O76074 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL3273401 0.81 PDK2 (0.41) ALOX5PDK2ALDH1A1RARBRARG
SCHEMBL3273087 0.80 PDK2 (0.45) PDK2HPGDALDH1A1GAARAB9A
SCHEMBL8513311 0.78 TRPA1 (0.35) PDK2HPGDGAA
SCHEMBL3272891 0.74 MEN1 (0.44) SMN1; SMN2
SCHEMBL3273289 0.66 BACE1 (0.31) ALOX5PDK2
SCHEMBL5656242 0.66 RARB (0.55) ALOX5PDK2RARBRARGRAB9A
SCHEMBL2384534 0.64 BACE1 (0.41) ALOX5
SCHEMBL2371980 0.64 BACE1 (0.36) KCNH2ALDH1A1
SCHEMBL3273295 0.63 BACE1 (0.43) ALOX5PDK2AKT1AKT2HPGD
SCHEMBL15275962 0.62 ALOX5 (0.44) ALOX5PDK2ALDH1A1RAB9A

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
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ALOX5 2632/4885PDK2 2740/4885AKT1 170/4885

“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.