SCHEMBL11251

SCHEMBL11251

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.43
KCNN4 O15554 5/20 0.41
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CES1 P23141 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
RGS12 O14924 1/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL28983035 0.86 ALDH1A1 (0.47) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL431187 0.86 HTT (0.59) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL27927747 0.81 HTT (0.54) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL25477181 0.80 ALDH1A1 (0.52) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL3631069 0.79 HTT (0.53) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL24781344 0.79 KCNN4 (0.46) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL4560569 0.78 HTT (0.51) HTTMAPTKMT2AHDAC1KIF11
SCHEMBL14608996 0.78 HTT (0.51) HTTMAPTKMT2AKCNN4KIF11
SCHEMBL25477183 0.77 KCNN4 (0.48) HTTMAPTKMT2AHDAC1KCNN4
SCHEMBL25477179 0.77 KCNN4 (0.58) HTTMAPTKMT2AHDAC1KCNN4

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 HTT 2393/4885MAPT 809/4885KMT2A 1441/4885

“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.