SCHEMBL20470816

SCHEMBL20470816

CC(C)C(=O)N1CCC2(CCO2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.41
EPHX2 P34913 2/20 0.36
CHRM2 P08172 6/20 0.34
CHRM3 P20309 6/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
VNN1 O95497 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CCR1 P32246 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL18348014 0.89 MGLL (0.37) MGLLEPHX2CHRNB2CHRNA3CHRNA4
SCHEMBL18478131 0.81 SMN1; SMN2 (0.43) MGLLEPHX2CHRM2CHRM3ALDH1A1
SCHEMBL29321296 0.80 MGLL (0.41) MGLLEPHX2CHRM2CHRM3ALDH1A1
SCHEMBL25629868 0.79 SMN1; SMN2 (0.36) MGLLEPHX2CHRM2CHRM3CHRNB2
SCHEMBL25629294 0.79 NAMPT (0.38) MGLLCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20469333 0.75 EPHX2 (0.52) MGLLEPHX2CHRM2CHRM3
SCHEMBL17177185 0.75 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25829095 0.75 MGLL (0.45) MGLLCHRM3ALDH1A1TSHRL3MBTL1
SCHEMBL22856550 0.75 MGLL (0.47) MGLLCHRM2CHRM3
SCHEMBL21480188 0.74 VNN1 (0.46) VNN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 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 (2 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP MGLL 4058/4885EPHX2 929/4885CHRM2 292/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP MGLL 4058/4885EPHX2 929/4885CHRM2 292/4885

“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.