SCHEMBL2228445

SCHEMBL2228445

CCC(O)CN(CCO)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
TSHR P16473 3/20 0.56
HTT P42858 1/20 0.51
KDM4E B2RXH2 5/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL27415006 0.92 POLB (0.54) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7817167 0.90 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL27414989 0.89 POLB (0.51) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL8284315 0.88 POLB (0.56) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL12126902 0.88 POLB (0.56) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL16633519 0.88 POLB (0.56) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL9052714 0.88 ALDH1A1 (0.59) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7088913 0.85 POLB (0.66) MAPK1TSHRKDM4EPOLBLMNA
SCHEMBL26253773 0.84 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL8321789 0.84 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1TSHR

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
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B ALDH1A1 1402/4885MAPT 819/4885GAA 230/4885

“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.