SCHEMBL29457481

SCHEMBL29457481

CC(C)(C)OC(=O)Nc1ccc(C(O)C2CCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.47
▸ NAMPT P43490 1/20 0.41
▸ GRIN2B Q13224 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPR3 P17342 1/20 0.38
▸ DEGS1 O15121 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35

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
SCHEMBL25344789 0.81 DHODH (0.51) DHODHMEN1KMT2ADEGS1KDM4E
SCHEMBL31726922 0.80 MAPK1 (0.43) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL22606745 0.79 DEGS1 (0.48) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL30506468 0.79 DEGS1 (0.48) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL24738966 0.79 GSK3B (0.43) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL23107411 0.77 NAMPT (0.48) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL16296314 0.76 GSK3B (0.41) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL28071467 0.76 GSK3B (0.41) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL27946209 0.75 MAPK1 (0.42) NAMPTGRIN2BGSK3BDYRK1ABCL2
SCHEMBL20899543 0.74 DDB1 (0.48) NAMPTGRIN2BGSK3BDYRK1ABCL2

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 DHODH 4393/4885NAMPT 3838/4885GRIN2B 41/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 DHODH 4393/4885NAMPT 3838/4885GRIN2B 41/4885

“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.

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