SCHEMBL11249

SCHEMBL11249

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CES1 P23141 1/20 0.41
KCNN4 O15554 2/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KIF11 P52732 3/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTT P42858 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 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
SCHEMBL13166441 0.80 KCNN4 (0.41) KMT2ACES1KCNN4
SCHEMBL16487250 0.77 TAAR1 (0.47) KMT2ACES1KCNN4KIF11SMN1; SMN2
SCHEMBL14639457 0.76 ACP3 (0.39) MAPTKMT2AKIF11
SCHEMBL6529360 0.76 KMT2A (0.48) MAPTKMT2ACES1KCNN4CYP2C19
SCHEMBL9295799 0.75 MAPT (0.47) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL5898588 0.74 MAPT (0.46) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL4795430 0.73 MAPT (0.39) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL6529359 0.72 MAPT (0.48) MAPTKMT2ACES1KCNN4CYP2C19
SCHEMBL10234508 0.72 CYP2C19 (0.46) MAPTKMT2ACES1KCNN4CYP2C19
SCHEMBL14181487 0.72 ALDH1A1 (0.39) KMT2ACES1KCNN4CYP2C19HIF1A

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 MAPT 809/4885KMT2A 1441/4885CES1 76/4885

“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.