SCHEMBL29862207

SCHEMBL29862207

CC(C)(C)OC(=O)N1C[C@@H](CCC(N[S@@+]([O-])C(C)(C)C)c2ccccn2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.36
ADORA2A P29274 9/20 0.36
ADORA3 P0DMS8 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
USP30 Q70CQ3 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRM5 P41594 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
NAMPT P43490 1/20 0.32
MMP13 P45452 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL28771555 1.00 ADORA2B (0.36) ADORA2BADORA2AADORA3GPR119USP30
SCHEMBL28771552 1.00 ADORA2B (0.36) ADORA2BADORA2AADORA3GPR119USP30
SCHEMBL22982839 0.90 TP53 (0.32) ADORA2BCNR1CNR2KDM4E
SCHEMBL22982842 0.90 TP53 (0.32) ADORA2BCNR1CNR2KDM4E
SCHEMBL22982841 0.90 TP53 (0.32) ADORA2BCNR1CNR2KDM4E
SCHEMBL23005914 0.88 USP30 (0.31) USP30NAMPT
SCHEMBL23005993 0.88 AAK1 (0.31)
SCHEMBL23006160 0.88 TP53 (0.34)
SCHEMBL23005999 0.88 AAK1 (0.31)
SCHEMBL29862346 0.88 TP53 (0.34)

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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ADORA2B 2134/4885ADORA2A 1746/4885ADORA3 1797/4885

“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.