SCHEMBL3273401

SCHEMBL3273401

CC(C)NC(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
ALOX5 P09917 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL3273087 0.83 PDK2 (0.45) PDK2NPC1RAB9AKDM4EKMT2A
SCHEMBL3273686 0.81 ALOX5 (0.41) PDK2ALOX5RAB9AALDH1A1RARB
SCHEMBL3272891 0.80 MEN1 (0.44) NPC1KMT2AMEN1POLBROCK2
SCHEMBL8513311 0.75 TRPA1 (0.35) PDK2KMT2AMEN1TP53TDP1
SCHEMBL29655815 0.66 SMN1; SMN2 (0.47) PDK2NPC1RAB9AKMT2ATAS1R3
SCHEMBL15509542 0.65 CNR2 (0.51) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL2384534 0.65 BACE1 (0.41) ALOX5
SCHEMBL3273289 0.64 BACE1 (0.31) PDK2ALOX5
SCHEMBL17660256 0.63 PDK2 (0.44) PDK2KMT2ATAS1R3TAS1R1POLB
SCHEMBL11142926 0.63 TAS1R3 (0.67) NPC1RAB9AKMT2AALDH1A1MEN1

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 PDK2 2740/4885ALOX5 2632/4885NPC1 1054/4885

“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.