SCHEMBL29457366

SCHEMBL29457366

CC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCC3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
MGLL Q99685 2/20 0.40
NAMPT P43490 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
BCL2 P10415 1/20 0.38
CSF1R P07333 3/20 0.37
FLT3 P36888 3/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
PDGFRA P16234 2/20 0.37
ABL1 P00519 3/20 0.35
GRM5 P41594 3/20 0.35
HDAC1 Q13547 1/20 0.35
EPHX2 P34913 1/20 0.35
DGAT1 O75907 1/20 0.33

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
SCHEMBL25345138 0.83 MGLL (0.41) MGLLABL1GRM5
SCHEMBL27211277 0.80 MGLL (0.40) MGLLCSF1RFLT3PDGFRBKIT
SCHEMBL8228538 0.76 DEGS1 (0.49) GRIN2BNAMPTGSK3BDYRK1AHDAC1
SCHEMBL15879088 0.74 GSK3B (0.42) GRIN2BNAMPTGSK3BDYRK1ABCL2
SCHEMBL30031366 0.74 LIPE (0.41) NAMPT
SCHEMBL25345568 0.74 MGLL (0.40) MGLLCSF1RFLT3PDGFRBKIT
SCHEMBL24496178 0.73 GRIN2B (0.45) GRIN2BNAMPTGSK3BDYRK1ABCL2
SCHEMBL20899543 0.73 DDB1 (0.48) GRIN2BNAMPTGSK3BDYRK1ABCL2
SCHEMBL29648330 0.73 GRIN2B (0.45) GRIN2BNAMPTGSK3BDYRK1ABCL2
SCHEMBL29457495 0.73 DDB1 (0.48) GRIN2BNAMPTGSK3BDYRK1ABCL2

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
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 GRIN2B 41/4885MGLL 2773/4885NAMPT 3838/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 GRIN2B 41/4885MGLL 2773/4885NAMPT 3838/4885

“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.