SCHEMBL11530

SCHEMBL11530

CCC(OC)(c1ccccc1)C(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 4/20 0.39
CES1 P23141 1/20 0.39
KCNH2 Q12809 4/20 0.39
OPRM1 P35372 4/20 0.39
OPRD1 P41143 3/20 0.39
CHRM3 P20309 2/20 0.39
MRGPRX2 Q96LB1 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNN4 O15554 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4782888 0.86 CYP2D6 (0.42) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL21401129 0.78 KCNH2 (0.38) CYP2D6CYP1A2KMT2AKIF11CES1
SCHEMBL9998609 0.76 SCN9A (0.35) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL9998967 0.76 SLC1A3 (0.34) CYP2D6CYP1A2KMT2AKIF11CES1
SCHEMBL11380 0.74 CYP2D6 (0.43) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL4972971 0.72 KCNH2 (0.44) CYP2D6CYP1A2MAPTKIF11KCNH2
SCHEMBL13868824 0.72 CYP2D6 (0.50) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL28239285 0.71 MAPT (0.53) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL16314168 0.71 MAPT (0.53) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL6529359 0.70 MAPT (0.48) CYP2D6CYP1A2MAPTKMT2AKIF11

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CYP2D6 1124/4885CYP1A2 280/4885MAPT 809/4885

“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.