SCHEMBL8509802

SCHEMBL8509802

CC12CCCC(CC1)N2CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.47
GRIN2B Q13224 1/20 0.44
KMT2A Q03164 2/20 0.42
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37
SLC18A3 Q16572 1/20 0.37

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
Bromide SCHEMBL8516256 0.99 USP14 (0.46) USP14GRIN2BKMT2AGSK3BGSK3A
SCHEMBL14499845 0.77 KMT2A (0.43) GRIN2BKMT2AGSK3BGSK3AHSD11B1
SCHEMBL14499846 0.73 KMT2A (0.40) USP14GRIN2BKMT2AGSK3BGSK3A
SCHEMBL31065795 0.67 CYP1A2 (0.31)
SCHEMBL20861498 0.65 KMT2A (0.46) GRIN2BKMT2AALDH1A1OPRM1KDM4E
SCHEMBL12859265 0.64 KMT2A (0.64) KMT2AALDH1A1HSP90AA1KDM4EMEN1
SCHEMBL12017415 0.64 KMT2A (0.52) KMT2AALDH1A1MAPK1HIF1AKDM4E
SCHEMBL17996516 0.64 GRIN2B (0.41) GRIN2BKMT2AGSK3BGSK3AALDH1A1
SCHEMBL9381303 0.63 ALDH1A1 (0.69) KMT2AALDH1A1MAPK1
SCHEMBL9640284 0.63 CHRM2 (0.46) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 US disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 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 (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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG USP14 4316/4885GRIN2B 43/4885KMT2A 2323/4885

“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.